 Entering Gaussian System, Link 0=g16
 Input=01_S_methyloxirane_STD_wB97XD-def2SVPDr.in
 Output=01_S_methyloxirane_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/01_S_methyloxirane_STD/Gau-109580.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/01_S_methyloxirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    109581.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=01_S_methyloxirane_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:13:45 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "01_S_methyloxirane_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.037946000000      0.616050000000     -0.060586000000
  C                                                 0.152167000000     -0.036181000000      0.486338000000
  O                                                -0.827309000000     -0.787855000000     -0.240257000000
  H                                                -0.946334000000      1.214879000000     -0.962405000000
  H                                                -1.863621000000      0.880906000000      0.593045000000
  H                                                 0.153731000000     -0.252078000000      1.553032000000
  C                                                 1.505323000000      0.097870000000     -0.148585000000
  H                                                 1.410483000000      0.321151000000     -1.211784000000
  H                                                 2.073470000000     -0.828389000000     -0.041354000000
  H                                                 2.073478000000      0.899940000000      0.328527000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          16           1           1           1          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           0           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:13:45 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.463181   0.000000
     3  O    1.430943   1.432595   0.000000
     4  H    1.086401   2.206969   2.132278   0.000000
     5  H    1.085874   2.217169   2.133799   1.836404   0.000000
     6  H    2.185750   1.088324   2.113145   3.112801   2.504982
     7  C    2.597012   1.500709   2.496815   2.814362   3.537364
     8  H    2.721585   2.143517   2.679827   2.532889   3.780276
     9  H    3.430406   2.144168   2.907873   3.760651   4.338760
    10  H    3.148486   2.143050   3.403929   3.299236   3.946021
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.201083   0.000000
     8  H    3.090667   1.090523   0.000000
     9  H    2.561171   1.091900   1.769435   0.000000
    10  H    2.551859   1.092590   1.774012   1.767465   0.000000
 Stoichiometry    C3H6O
 Framework group  C1[X(C3H6O)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.36D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
 Rotational constants (GHZ):          18.2186332           6.6800760           5.9518073
 Leave Link  202 at Thu Jul 22 20:13:46 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       4      5      6      8      9     10
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   139 symmetry adapted cartesian basis functions of A   symmetry.
 There are   131 symmetry adapted basis functions of A   symmetry.
   131 basis functions,   191 primitive gaussians,   139 cartesian basis functions
    16 alpha electrons       16 beta electrons
       nuclear repulsion energy       124.8385457136 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0029685220 Hartrees.
 Nuclear repulsion after empirical dispersion term =      124.8355771915 Hartrees.
 Leave Link  301 at Thu Jul 22 20:13:46 2021, MaxMem=  6442450944 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   131 RedAO= T EigKep=  1.04D-04  NBF=   131
 NBsUse=   131 1.00D-06 EigRej= -1.00D+00 NBFU=   131
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   139   139   139   139   139 MxSgAt=    10 MxSgA2=    10.
 Leave Link  302 at Thu Jul 22 20:13:46 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:13:47 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "01_S_methyloxirane_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:13:47 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=82465864.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   8646 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6367647724 LenY=  6367627962
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -192.914087517706    
 DIIS: error= 5.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -192.914087517706     IErMin= 1 ErrMin= 5.33D-03
 ErrMax= 5.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-03 BMatP= 5.37D-03
 IDIUse=3 WtCom= 9.47D-01 WtEn= 5.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 GapD=    0.479 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.85D-03 MaxDP=5.98D-02              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -192.918755609377     Delta-E=       -0.004668091671 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -192.918755609377     IErMin= 2 ErrMin= 1.03D-03
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-04 BMatP= 5.37D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.03D-02
 Coeff-Com:  0.204D-01 0.980D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.202D-01 0.980D+00
 Gap=     0.459 Goal=   None    Shift=    0.000
 RMSDP=5.68D-04 MaxDP=9.54D-03 DE=-4.67D-03 OVMax= 8.54D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -192.918868684262     Delta-E=       -0.000113074886 Rises=F Damp=F
 DIIS: error= 1.16D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -192.918868684262     IErMin= 2 ErrMin= 1.03D-03
 ErrMax= 1.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-04 BMatP= 2.50D-04
 IDIUse=3 WtCom= 2.27D-01 WtEn= 7.73D-01
 Coeff-Com: -0.504D-01 0.530D+00 0.520D+00
 Coeff-En:   0.000D+00 0.334D+00 0.666D+00
 Coeff:     -0.114D-01 0.378D+00 0.633D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=1.59D-04 MaxDP=5.01D-03 DE=-1.13D-04 OVMax= 4.97D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -192.919037770958     Delta-E=       -0.000169086696 Rises=F Damp=F
 DIIS: error= 5.12D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -192.919037770958     IErMin= 4 ErrMin= 5.12D-04
 ErrMax= 5.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-05 BMatP= 2.50D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.12D-03
 Coeff-Com: -0.157D-01 0.408D-01 0.326D+00 0.649D+00
 Coeff-En:   0.000D+00 0.000D+00 0.133D+00 0.867D+00
 Coeff:     -0.156D-01 0.405D-01 0.325D+00 0.650D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=6.92D-05 MaxDP=1.49D-03 DE=-1.69D-04 OVMax= 1.55D-03

 Cycle   5  Pass 1  IDiag  1:
 E= -192.919079044316     Delta-E=       -0.000041273358 Rises=F Damp=F
 DIIS: error= 8.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -192.919079044316     IErMin= 5 ErrMin= 8.09D-05
 ErrMax= 8.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.54D-07 BMatP= 5.48D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.188D-02-0.565D-01 0.348D-01 0.214D+00 0.806D+00
 Coeff:      0.188D-02-0.565D-01 0.348D-01 0.214D+00 0.806D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=1.79D-05 MaxDP=2.97D-04 DE=-4.13D-05 OVMax= 4.17D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -192.919080064309     Delta-E=       -0.000001019993 Rises=F Damp=F
 DIIS: error= 6.91D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -192.919080064309     IErMin= 6 ErrMin= 6.91D-06
 ErrMax= 6.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-08 BMatP= 7.54D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.996D-03-0.988D-02-0.988D-02 0.173D-02 0.108D+00 0.909D+00
 Coeff:      0.996D-03-0.988D-02-0.988D-02 0.173D-02 0.108D+00 0.909D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=4.31D-06 MaxDP=6.18D-05 DE=-1.02D-06 OVMax= 1.15D-04

 Cycle   7  Pass 1  IDiag  1:
 E= -192.919080105613     Delta-E=       -0.000000041304 Rises=F Damp=F
 DIIS: error= 2.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -192.919080105613     IErMin= 7 ErrMin= 2.75D-06
 ErrMax= 2.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-09 BMatP= 1.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.748D-04 0.247D-02-0.460D-02-0.178D-01-0.455D-01 0.148D+00
 Coeff-Com:  0.918D+00
 Coeff:      0.748D-04 0.247D-02-0.460D-02-0.178D-01-0.455D-01 0.148D+00
 Coeff:      0.918D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=2.87D-05 DE=-4.13D-08 OVMax= 4.22D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -192.919080110317     Delta-E=       -0.000000004704 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -192.919080110317     IErMin= 8 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-10 BMatP= 2.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.817D-04 0.185D-02-0.264D-03-0.594D-02-0.255D-01-0.533D-01
 Coeff-Com:  0.310D+00 0.773D+00
 Coeff:     -0.817D-04 0.185D-02-0.264D-03-0.594D-02-0.255D-01-0.533D-01
 Coeff:      0.310D+00 0.773D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=4.03D-07 MaxDP=8.30D-06 DE=-4.70D-09 OVMax= 1.11D-05

 Cycle   9  Pass 1  IDiag  1:
 E= -192.919080110844     Delta-E=       -0.000000000527 Rises=F Damp=F
 DIIS: error= 2.34D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -192.919080110844     IErMin= 9 ErrMin= 2.34D-07
 ErrMax= 2.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-11 BMatP= 4.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.224D-04 0.231D-03 0.242D-03-0.899D-04-0.209D-02-0.215D-01
 Coeff-Com:  0.703D-02 0.160D+00 0.856D+00
 Coeff:     -0.224D-04 0.231D-03 0.242D-03-0.899D-04-0.209D-02-0.215D-01
 Coeff:      0.703D-02 0.160D+00 0.856D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=9.46D-08 MaxDP=1.80D-06 DE=-5.27D-10 OVMax= 2.24D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -192.919080110867     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 5.54D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -192.919080110867     IErMin=10 ErrMin= 5.54D-08
 ErrMax= 5.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.01D-13 BMatP= 1.33D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-05-0.679D-04 0.305D-04 0.294D-03 0.116D-02-0.417D-03
 Coeff-Com: -0.148D-01-0.236D-01 0.124D+00 0.913D+00
 Coeff:      0.129D-05-0.679D-04 0.305D-04 0.294D-03 0.116D-02-0.417D-03
 Coeff:     -0.148D-01-0.236D-01 0.124D+00 0.913D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=2.85D-08 MaxDP=4.36D-07 DE=-2.32D-11 OVMax= 6.33D-07

 Cycle  11  Pass 1  IDiag  1:
 E= -192.919080110865     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 2.43D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -192.919080110867     IErMin=11 ErrMin= 2.43D-08
 ErrMax= 2.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-13 BMatP= 8.01D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-05-0.405D-04-0.868D-05 0.110D-03 0.573D-03 0.163D-02
 Coeff-Com: -0.529D-02-0.226D-01-0.354D-01 0.313D+00 0.748D+00
 Coeff:      0.215D-05-0.405D-04-0.868D-05 0.110D-03 0.573D-03 0.163D-02
 Coeff:     -0.529D-02-0.226D-01-0.354D-01 0.313D+00 0.748D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=7.80D-09 MaxDP=1.45D-07 DE= 2.27D-12 OVMax= 1.84D-07

 SCF Done:  E(RwB97XD) =  -192.919080111     A.U. after   11 cycles
            NFock= 11  Conv=0.78D-08     -V/T= 2.0107
 KE= 1.908781215040D+02 PE=-6.986625297271D+02 EE= 1.900297509207D+02
 Leave Link  502 at Thu Jul 22 20:13:53 2021, MaxMem=  6442450944 cpu:              45.7 elap:               6.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   131
 NBasis=   131 NAE=    16 NBE=    16 NFC=     0 NFV=     0
 NROrb=    131 NOA=    16 NOB=    16 NVA=   115 NVB=   115

 **** Warning!!: The largest alpha MO coefficient is  0.27184850D+02

 Leave Link  801 at Thu Jul 22 20:13:53 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3002 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=159246421.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   8646 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.07D-14 8.33D-09 XBig12= 1.00D+00 3.33D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.07D-14 8.33D-09 XBig12= 2.15D-01 7.04D-02.
     11 vectors produced by pass  2 Test12= 3.07D-14 8.33D-09 XBig12= 2.63D-02 4.92D-02.
     11 vectors produced by pass  3 Test12= 3.07D-14 8.33D-09 XBig12= 9.11D-04 9.15D-03.
     11 vectors produced by pass  4 Test12= 3.07D-14 8.33D-09 XBig12= 1.97D-05 9.34D-04.
     11 vectors produced by pass  5 Test12= 3.07D-14 8.33D-09 XBig12= 2.70D-07 9.44D-05.
     11 vectors produced by pass  6 Test12= 3.07D-14 8.33D-09 XBig12= 3.70D-09 1.26D-05.
     11 vectors produced by pass  7 Test12= 3.07D-14 8.33D-09 XBig12= 4.75D-11 1.15D-06.
      8 vectors produced by pass  8 Test12= 3.07D-14 8.33D-09 XBig12= 3.86D-13 8.64D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.461587D+02
      2 -0.233295D+01  0.381871D+02
      3  0.863535D+00 -0.656810D+00  0.377989D+02
 Isotropic polarizability for W=    0.085645       40.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.229315D+02 -0.207866D+00  0.287471D+01
      2  -0.136465D+02  0.463342D+01 -0.666775D+01
      3  -0.928507D+01 -0.442555D+01  0.379304D+01
      4   0.162419D+02  0.708411D+01 -0.108317D+01
      5   0.450020D+01  0.236718D+00  0.129998D+02
      6  -0.173324D+01 -0.435085D+01  0.128589D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.772157D+00  0.766742D+00 -0.579908D+01
      2  -0.398743D+01  0.725851D+00  0.691090D+01
      3   0.348472D+01 -0.608423D+01 -0.143207D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.131989D+01  0.231690D+01 -0.172844D+02
      2  -0.162549D+01  0.650064D+00  0.222849D+02
      3   0.164498D+02 -0.207306D+02 -0.196996D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.231353D-01  0.891600D+00  0.474256D+00
      2   0.891600D+00 -0.167439D+00 -0.123760D-01
      3   0.474256D+00 -0.123760D-01  0.256515D+00
 OR G Eigenvalues:    -1.0758     0.1677     0.9741  Iso=    -0.0220
 Eigenvectors:
   (1)   0.689008  -0.679692  -0.251568
   (2)  -0.172742  -0.491116   0.853795
   (3)   0.703867   0.544815   0.455794
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0220 au.
 Molar Mass =     58.0798 grams/mole, [Alpha] ( 5320.0 A) =      -17.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=    8646 ScalPx= 7.46D+00
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    8646 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.54D+01
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.11D-15 2.78D-09 XBig12= 1.00D+00 3.88D-01.
     30 vectors produced by pass  1 Test12= 5.11D-15 2.78D-09 XBig12= 2.34D-02 3.75D-02.
     30 vectors produced by pass  2 Test12= 5.11D-15 2.78D-09 XBig12= 2.74D-04 2.26D-03.
     30 vectors produced by pass  3 Test12= 5.11D-15 2.78D-09 XBig12= 2.66D-06 1.97D-04.
     30 vectors produced by pass  4 Test12= 5.11D-15 2.78D-09 XBig12= 1.72D-08 1.57D-05.
     30 vectors produced by pass  5 Test12= 5.11D-15 2.78D-09 XBig12= 8.25D-11 1.12D-06.
     30 vectors produced by pass  6 Test12= 5.11D-15 2.78D-09 XBig12= 3.54D-13 7.12D-08.
     10 vectors produced by pass  7 Test12= 5.11D-15 2.78D-09 XBig12= 1.70D-15 5.47D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    8646 ScalPx= 1.76D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    8646 ScalPx= 1.76D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    8646 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.22D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.461587D+02 -0.233295D+01  0.863535D+00
      2  -0.233295D+01  0.381871D+02 -0.656810D+00
      3   0.863535D+00 -0.656810D+00  0.377989D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.772157D+00  0.766742D+00 -0.579908D+01
      2  -0.398743D+01  0.725851D+00  0.691090D+01
      3   0.348472D+01 -0.608423D+01 -0.143207D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.229315D+02 -0.207866D+00  0.287471D+01
      2  -0.136465D+02  0.463342D+01 -0.666775D+01
      3  -0.928507D+01 -0.442555D+01  0.379304D+01
      4   0.162419D+02  0.708411D+01 -0.108317D+01
      5   0.450020D+01  0.236718D+00  0.129998D+02
      6  -0.173324D+01 -0.435085D+01  0.128589D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.394111D+01  0.128205D+01 -0.401410D+01 -0.240077D+00 -0.112978D+01
      2   0.128205D+01 -0.251574D+00  0.186245D+01 -0.112978D+01  0.523148D+01
      3  -0.401410D+01  0.186245D+01 -0.484451D-01  0.740232D+00  0.207796D+01
                 6             7             8             9            10 
      1   0.740232D+00 -0.585408D+01  0.191688D+01  0.238978D+00  0.670087D+01
      2   0.207796D+01  0.191688D+01  0.245309D+01 -0.225698D+01 -0.981145D+00
      3  -0.227633D+01  0.238978D+00 -0.225698D+01  0.152984D+01  0.315465D+01
                11            12            13            14            15 
      1  -0.981145D+00  0.315465D+01 -0.120889D+01  0.453274D+01  0.479771D+00
      2   0.221667D+01  0.103212D+00  0.453274D+01 -0.143566D+00  0.140167D+01
      3   0.103212D+00  0.986213D-01  0.479771D+00  0.140167D+01  0.140046D+01
                16            17            18            19            20 
      1   0.422278D+01  0.756865D+00  0.814068D+00 -0.405701D+01 -0.373881D+01
      2   0.756865D+00  0.776967D+00  0.159150D+01 -0.373881D+01 -0.777764D+00
      3   0.814068D+00  0.159150D+01 -0.680118D+01 -0.133197D+01 -0.348655D+00
                21            22            23            24            25 
      1  -0.133197D+01 -0.198765D+01 -0.260089D+01 -0.591908D+00 -0.182165D+01
      2  -0.348655D+00 -0.260089D+01 -0.902398D+01 -0.179930D+01 -0.124668D+01
      3   0.394773D-01 -0.591908D+00 -0.179930D+01 -0.775598D+00 -0.132118D+01
                26            27            28            29            30 
      1  -0.124668D+01 -0.132118D+01 -0.136440D+00  0.900335D+00 -0.325532D+00
      2  -0.146328D+01 -0.225474D+01  0.900335D+00 -0.275758D-01 -0.401436D+00
      3  -0.225474D+01 -0.149168D+01 -0.325532D+00 -0.401436D+00  0.230067D+00
                31            32            33            34            35 
      1   0.128889D+01 -0.720652D+00  0.324428D+00 -0.104814D+01  0.291962D+00
      2  -0.720652D+00  0.326833D+01 -0.264263D+01  0.291962D+00 -0.321588D+01
      3   0.324428D+00 -0.264263D+01  0.256385D+01 -0.721695D+00  0.301308D+01
                36            37            38            39            40 
      1  -0.721695D+00 -0.641221D+01  0.215949D+01  0.264777D+01  0.185012D+01
      2   0.301308D+01  0.215949D+01 -0.193029D+01 -0.924637D+00 -0.180642D+01
      3  -0.499791D+01  0.264777D+01 -0.924637D+00 -0.212937D+01 -0.638374D+00
                41            42            43            44            45 
      1  -0.180642D+01 -0.638374D+00  0.395509D+01 -0.126730D+01 -0.236324D+01
      2   0.128428D+01  0.550373D+00 -0.126730D+01  0.852753D+00  0.142921D+01
      3   0.550373D+00  0.916288D+00 -0.236324D+01  0.142921D+01  0.254528D+01
                46            47            48            49            50 
      1   0.733223D+00 -0.112232D+00  0.115062D+01 -0.185369D+00 -0.381489D+00
      2  -0.112232D+00 -0.182520D+00 -0.516343D-01 -0.381489D+00 -0.769587D+00
      3   0.115062D+01 -0.516343D-01  0.165597D+00 -0.513123D-01  0.114606D+01
                51            52            53            54            55 
      1  -0.513123D-01  0.159275D+01 -0.194938D+00  0.425367D+00 -0.156675D+01
      2   0.114606D+01 -0.194938D+00  0.134675D+01 -0.135616D+01  0.762734D+00
      3  -0.145985D+01  0.425367D+00 -0.135616D+01  0.991139D+01 -0.230973D+01
                56            57            58            59            60 
      1   0.762734D+00 -0.230973D+01  0.110752D+01 -0.554121D+01 -0.120572D+01
      2  -0.460339D+01 -0.107872D+01 -0.554121D+01  0.133885D+01 -0.159184D+01
      3  -0.107872D+01  0.392442D+00 -0.120572D+01 -0.159184D+01 -0.230783D+01
                61            62            63            64            65 
      1  -0.245537D+01 -0.118516D+01 -0.327040D+00 -0.134963D+00  0.141126D+00
      2  -0.118516D+01 -0.171739D+01 -0.209870D+01  0.141126D+00  0.352577D+00
      3  -0.327040D+00 -0.209870D+01  0.588819D+01 -0.582578D+00  0.120474D+00
                66            67            68            69            70 
      1  -0.582578D+00  0.391406D+00  0.766009D+00 -0.104122D+00 -0.193850D+01
      2   0.120474D+00  0.766009D+00  0.507546D+00 -0.906319D+00 -0.655233D-01
      3  -0.448768D+00 -0.104122D+00 -0.906319D+00  0.124305D+01  0.109212D+01
                71            72            73            74            75 
      1  -0.655233D-01  0.109212D+01  0.447108D+01 -0.247469D+01  0.349252D+00
      2  -0.135882D+01  0.114826D+01 -0.247469D+01  0.286497D+01 -0.196645D-01
      3   0.114826D+01 -0.769583D+01  0.349252D+00 -0.196645D-01  0.672389D+00
                76            77            78            79            80 
      1  -0.443150D+01  0.376785D+01  0.139040D+00  0.872835D+00 -0.328594D-01
      2   0.376785D+01 -0.553970D+01  0.365894D+00 -0.328594D-01  0.586417D+00
      3   0.139040D+00  0.365894D+00 -0.104228D+01  0.840680D+00 -0.652037D+00
                81            82            83            84            85 
      1   0.840680D+00  0.434331D+01  0.206114D+01  0.126161D+01  0.341554D+01
      2  -0.652037D+00  0.206114D+01  0.233889D+01  0.738606D+00  0.311384D+01
      3  -0.239144D+00  0.126161D+01  0.738606D+00  0.102799D+01  0.907968D+00
                86            87            88            89            90 
      1   0.311384D+01  0.907968D+00  0.247429D+01  0.102675D+01  0.132194D+01
      2   0.384634D+01  0.139814D+01  0.102675D+01  0.173939D+01  0.143658D+01
      3   0.139814D+01  0.173825D+01  0.132194D+01  0.143658D+01  0.135105D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.604476D+01 -0.220606D+01 -0.296457D+00 -0.224886D+01 -0.126438D+01
      2   0.639371D+01 -0.376276D+01  0.199678D+01 -0.205807D+01 -0.178481D+01
      3   0.826898D+00 -0.385212D+01 -0.112686D+01  0.754451D+00  0.327897D+01
                 6             7             8             9            10 
      1   0.191475D+01 -0.294532D+01  0.558433D+01 -0.176118D+01 -0.215878D+01
      2   0.368018D+01 -0.186290D+01  0.412489D+01  0.342824D-01 -0.264736D+01
      3   0.395581D+01 -0.328517D+01  0.452131D+01 -0.231069D+01  0.652167D+00
                11            12            13            14            15 
      1   0.233302D+01  0.741618D-01  0.237769D+01 -0.568481D+00 -0.220009D+01
      2   0.106848D+01 -0.137942D+01  0.171827D+01 -0.209187D+01 -0.702840D+00
      3  -0.174297D+01  0.277688D+00  0.579590D+01  0.973973D+00 -0.950271D-03
                16            17            18            19            20 
      1   0.933624D+00  0.598026D+00  0.180549D+01 -0.183244D+01 -0.685437D+00
      2  -0.861469D+01  0.367480D+00 -0.440341D+01  0.187701D+01  0.126743D+01
      3   0.999817D+00 -0.972748D+00 -0.343291D+00  0.167243D+01 -0.288459D+01
                21            22            23            24            25 
      1  -0.248526D+01 -0.136939D+01  0.238262D+01 -0.776464D+01 -0.129576D+01
      2   0.419728D+01 -0.141903D+01  0.234961D+01  0.261002D+01 -0.279567D+01
      3   0.295098D+00  0.828539D+01 -0.948165D+01 -0.133740D+01  0.264957D+01
                26            27            28            29            30 
      1   0.292411D+01 -0.239080D+01  0.208742D+00  0.426251D+00 -0.240652D+00
      2   0.195913D+01  0.205311D+01  0.101965D+01  0.332558D+00  0.259107D+00
      3  -0.108183D+01 -0.563693D+00  0.127286D+01  0.211332D+00 -0.525512D+00
                31            32            33            34            35 
      1  -0.166948D+00  0.667396D+00 -0.338884D+01  0.392574D+00 -0.376000D+00
      2   0.761803D+00  0.321829D+01 -0.325362D+01 -0.194046D+01 -0.347385D+01
      3   0.190974D+01  0.379377D+01 -0.294097D+01 -0.170983D+01 -0.369547D+01
                36            37            38            39            40 
      1   0.568378D+01 -0.283987D+01 -0.254510D+00  0.269964D+01  0.431592D+00
      2   0.594926D+01 -0.209776D+01  0.110810D+01  0.456698D+01  0.603334D+00
      3   0.358036D+01 -0.310598D+01 -0.281057D+01  0.112917D+01  0.141241D+00
                41            42            43            44            45 
      1  -0.273221D+00 -0.164250D+01  0.246560D+01 -0.325535D+00 -0.299419D+01
      2  -0.905858D+00 -0.185474D+01  0.118062D+01 -0.173301D+01 -0.411950D+01
      3   0.903066D+00  0.335970D+00  0.227788D+01  0.920161D+00 -0.370609D+00
                46            47            48            49            50 
      1   0.121213D+00  0.100220D+00  0.452120D+00 -0.314883D+00 -0.878319D+00
      2  -0.126826D+00 -0.809635D-01  0.183221D+00  0.623417D+00  0.839301D+00
      3   0.610240D-01 -0.888339D+00  0.553907D-01  0.830132D+00 -0.141164D+00
                51            52            53            54            55 
      1   0.492148D+00 -0.271282D-01  0.413028D+01 -0.969128D+00  0.545131D+00
      2  -0.206469D+00 -0.415982D+01 -0.145681D+00  0.254019D+01 -0.451587D+01
      3  -0.332026D+00 -0.607804D+00 -0.361793D+00 -0.192299D+00 -0.841606D+00
                56            57            58            59            60 
      1   0.908509D+00  0.258847D-01  0.178734D+01 -0.188149D+00 -0.973380D+00
      2  -0.163990D+01  0.258467D+01 -0.195203D+01 -0.357259D+01 -0.380769D+01
      3   0.621215D+01  0.176631D+01  0.129587D+02 -0.324031D+01  0.242227D+01
                61            62            63            64            65 
      1  -0.226863D+00  0.258819D+01  0.232139D+00  0.306032D-01  0.224732D+00
      2  -0.410512D+01 -0.359002D+01  0.876395D+01 -0.185617D+01  0.117995D+00
      3   0.133611D+01  0.279997D+01  0.374008D+01 -0.408273D+00 -0.979589D+00
                66            67            68            69            70 
      1  -0.578358D-01  0.926903D-01 -0.330730D+00 -0.871627D+00 -0.209375D+00
      2   0.545525D+00  0.399981D+00 -0.120810D+01  0.242392D+01 -0.167131D+01
      3  -0.261550D+00  0.242074D-01 -0.649658D+00  0.143452D+01 -0.540954D+00
                71            72            73            74            75 
      1   0.272073D+01  0.856963D+00  0.460027D+00 -0.634796D+00  0.812101D+00
      2   0.226921D+01 -0.132333D+02  0.502160D+00 -0.290972D+00  0.263043D+01
      3   0.246791D+01 -0.216094D+01  0.399459D+01 -0.670168D+01  0.132817D-01
                76            77            78            79            80 
      1  -0.616367D+00  0.977272D+00 -0.213879D+01  0.247815D+00  0.701955D+00
      2   0.121960D+00  0.834907D+00 -0.298747D+01  0.373666D+00 -0.913332D+00
      3  -0.442925D+01  0.104863D+02 -0.679114D+00 -0.291676D+00 -0.106593D+01
                81            82            83            84            85 
      1   0.931877D-01 -0.579376D+00 -0.211925D+00 -0.983710D+00 -0.404581D+00
      2  -0.518977D+00  0.188316D+01  0.155195D+01  0.331566D+01  0.120037D+01
      3   0.794424D+00 -0.295825D+01 -0.565851D+01 -0.129512D+01 -0.318805D+01
                86            87            88            89            90 
      1  -0.195942D+00 -0.232727D+01 -0.501036D+00  0.548791D+00 -0.884154D+00
      2   0.232113D+01  0.409871D+01  0.513239D+00  0.230155D+01  0.250266D+01
      3  -0.708967D+01 -0.242637D+01 -0.827940D+00 -0.353159D+01 -0.217334D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204131D+00 -0.237725D+00  0.887954D+01  0.610906D+01  0.945678D+00
      2   0.137063D+01  0.144303D+00 -0.486024D+01 -0.581096D+01  0.369675D+01
      3  -0.157477D+01  0.934222D-01 -0.401930D+01 -0.298108D+00 -0.464243D+01
      4   0.143604D+01 -0.543518D+00 -0.836353D+01 -0.167197D+01 -0.675057D+01
      5   0.150165D+02 -0.630184D+01 -0.218755D+01 -0.330652D+01 -0.167937D+01
      6  -0.657203D+01  0.313555D+01  0.323115D+01  0.337880D+01  0.760156D+01
                 6             7             8             9            10 
      1  -0.869790D+01  0.121283D+02 -0.903750D+01  0.211518D+01 -0.929315D+01
      2   0.548585D+01 -0.588460D+01  0.653686D+01 -0.212898D+01  0.196239D+01
      3   0.321205D+01 -0.624367D+01  0.250064D+01  0.137988D-01  0.733075D+01
      4   0.156902D+00 -0.754115D+01 -0.150151D+01  0.515248D+01  0.399155D+00
      5   0.947847D+01 -0.267852D+01  0.533859D+01  0.730611D+00  0.407207D+00
      6  -0.102597D+02  0.259764D+01 -0.711985D+01  0.512496D+01  0.890924D+00
                11            12            13            14            15 
      1  -0.115725D+01  0.352595D+01 -0.602252D+00 -0.168872D+01  0.282673D+00
      2   0.674720D+00 -0.148408D+00 -0.333341D+00  0.202580D+01 -0.124049D+01
      3   0.482525D+00 -0.337754D+01  0.935593D+00 -0.337082D+00  0.957818D+00
      4  -0.558800D+01  0.154581D+01 -0.471972D+00 -0.225073D+01 -0.109870D+01
      5   0.815716D+00 -0.665842D+01  0.101097D+01 -0.705963D+00 -0.794140D+00
      6   0.315414D+00  0.193120D+00  0.146085D+01 -0.196983D+00  0.261714D+01
                16            17            18            19            20 
      1   0.147766D+00 -0.244758D+01  0.120419D+02  0.649500D+01  0.539798D+01
      2  -0.104349D+01  0.229738D+00  0.626379D+01 -0.253658D+00 -0.177003D+01
      3   0.895728D+00  0.221784D+01 -0.183057D+02 -0.624135D+01 -0.362795D+01
      4   0.782535D+00 -0.152671D+01  0.173246D+01  0.105670D+02  0.126505D+02
      5   0.440805D+00  0.725698D+00 -0.536904D+01  0.217383D+01  0.263374D+01
      6   0.536382D+00 -0.157529D+00  0.427870D+01  0.290137D+01  0.925167D+00
                21            22            23            24            25 
      1  -0.127624D+01  0.172624D+01 -0.106277D+02 -0.184193D+01  0.779928D+00
      2  -0.187520D+01  0.210222D+01  0.184267D+02 -0.140393D+01 -0.345207D+00
      3   0.315145D+01 -0.382846D+01 -0.779899D+01  0.324586D+01 -0.434721D+00
      4   0.304081D+01  0.133641D+02  0.184803D+02  0.154605D+01  0.317248D+01
      5   0.825852D+01  0.318645D+01  0.860805D+00  0.181870D+01  0.574924D+01
      6   0.119174D+01 -0.127624D+01  0.306011D+01  0.113918D+02  0.242215D+01
                26            27            28            29            30 
      1  -0.153958D+01 -0.620227D+01  0.702148D+00 -0.265633D+01  0.122455D+01
      2   0.335792D+00 -0.719128D+00 -0.175784D+00  0.160204D+01 -0.355390D+00
      3   0.120379D+01  0.692140D+01 -0.526364D+00  0.105429D+01 -0.869164D+00
      4   0.383684D+01  0.504264D+01 -0.192925D+01  0.348861D+01 -0.135886D+01
      5   0.468161D+01  0.477707D+01 -0.171561D+00 -0.901896D+00  0.340790D+01
      6   0.891972D+01  0.561564D+01 -0.190561D+01 -0.104703D+01  0.817227D-01
                31            32            33            34            35 
      1  -0.193048D+01 -0.807435D+01  0.624704D+01  0.750457D+00  0.788689D+01
      2   0.795046D+00  0.982429D+01 -0.511732D+01 -0.701585D+00 -0.588832D+01
      3   0.113543D+01 -0.174993D+01 -0.112973D+01 -0.488721D-01 -0.199858D+01
      4   0.511628D+01 -0.592140D+01  0.443870D+01 -0.323007D+01  0.555534D+01
      5  -0.228817D+01  0.526715D+01 -0.580989D+01  0.510616D+01 -0.625932D+01
      6   0.109575D+01 -0.110935D+02  0.106290D+02 -0.207534D+01  0.120806D+02
                36            37            38            39            40 
      1  -0.970814D+01  0.243388D+02 -0.482731D+01 -0.756148D+01 -0.425437D+01
      2   0.348492D+00 -0.119586D+02  0.220099D+00  0.500547D+01 -0.160510D+00
      3   0.935965D+01 -0.123802D+02  0.460721D+01  0.255601D+01  0.441488D+01
      4  -0.509611D+01 -0.149403D+02  0.104426D+02  0.580682D+01  0.988902D+01
      5   0.107321D+02 -0.137113D+02  0.459410D+01  0.106867D+02  0.307869D+01
      6  -0.148210D+02  0.623956D+01 -0.331613D+01 -0.497164D+01 -0.324292D+01
                41            42            43            44            45 
      1   0.285198D+01  0.875205D+00 -0.105752D+02  0.234753D+01  0.315719D+01
      2   0.994524D+00  0.414952D+00  0.689630D+01 -0.631329D+00 -0.496814D+01
      3  -0.384651D+01 -0.129016D+01  0.367887D+01 -0.171620D+01  0.181095D+01
      4  -0.668714D+01 -0.376169D+01  0.784546D+01 -0.518445D+01 -0.622055D+01
      5  -0.344142D+01 -0.350057D+01  0.123216D+02 -0.547020D+01 -0.111695D+02
      6   0.275048D+01  0.459947D+01 -0.532887D+01  0.540945D+01  0.525527D+01
                46            47            48            49            50 
      1   0.476962D+00 -0.123016D+00  0.253708D+00 -0.648964D-01 -0.410663D+01
      2  -0.302316D+01  0.300422D-01 -0.191657D+00  0.252536D+00  0.570653D+00
      3   0.254620D+01  0.929734D-01 -0.620505D-01 -0.187639D+00  0.353598D+01
      4  -0.177106D+00  0.219824D+01 -0.775985D+00  0.150456D+01 -0.335222D+00
      5   0.831631D+00 -0.956745D+00  0.739104D+01 -0.105617D+01  0.102282D+01
      6  -0.951461D+00 -0.653587D-01  0.976342D-01 -0.687180D-01 -0.279543D+01
                51            52            53            54            55 
      1   0.372857D+01 -0.387662D+00  0.337676D+01 -0.227869D+02  0.259097D+01
      2   0.430144D+00 -0.128501D+01  0.266082D+00 -0.134803D+02 -0.471260D+01
      3  -0.415871D+01  0.167267D+01 -0.364284D+01  0.362672D+02  0.212163D+01
      4   0.630181D+00 -0.389364D+00  0.436866D+00 -0.727078D+00  0.257738D+01
      5  -0.747327D+00  0.568236D+01 -0.666205D+00  0.376143D+01 -0.992040D+01
      6   0.700099D+01 -0.707871D+00  0.667175D+01 -0.576572D+01 -0.255298D+01
                56            57            58            59            60 
      1   0.211782D+01 -0.704481D+01  0.231938D+01 -0.140540D+02 -0.359641D+01
      2   0.666628D-01  0.294297D+01  0.137183D-01  0.230428D+01  0.104265D+00
      3  -0.218448D+01  0.410184D+01 -0.233310D+01  0.117497D+02  0.349214D+01
      4  -0.171143D+02 -0.434679D+01 -0.232970D+02  0.512144D+01 -0.702050D+01
      5  -0.413941D+01  0.138817D+01 -0.534493D+01 -0.657207D+01 -0.682558D+01
      6  -0.155525D+01 -0.629207D+00 -0.169410D+01 -0.290300D+01 -0.178288D+01
                61            62            63            64            65 
      1  -0.888692D+01 -0.423786D+01  0.624963D+01 -0.133181D+00  0.453111D+00
      2   0.225096D+01 -0.434427D+00  0.178663D+01 -0.145735D+01 -0.444431D+00
      3   0.663596D+01  0.467229D+01 -0.803627D+01  0.159053D+01 -0.868027D-02
      4  -0.551832D+01 -0.714987D+01 -0.727351D+01  0.893608D-01  0.266649D+01
      5  -0.767127D+00 -0.685581D+01  0.131400D+02 -0.111522D+01 -0.377550D+00
      6  -0.154269D+01 -0.119320D+01  0.226901D+01 -0.734177D+00  0.666132D+00
                66            67            68            69            70 
      1  -0.290545D+01  0.895044D+00 -0.798768D+00  0.212963D+01 -0.453222D+01
      2   0.121337D+01 -0.736525D+00  0.693060D+00 -0.296313D-01  0.397293D+01
      3   0.169208D+01 -0.158518D+00  0.105708D+00 -0.210000D+01  0.559293D+00
      4  -0.563443D+00  0.423126D+01  0.132101D+01 -0.233434D+01 -0.121488D+01
      5   0.435892D+01 -0.812417D+00 -0.203456D+01  0.393244D+01  0.738088D+01
      6   0.243167D+00 -0.269516D+00 -0.198163D+01  0.544403D+01  0.797009D+00
                71            72            73            74            75 
      1   0.243485D+01 -0.114223D+02  0.186127D+02 -0.959705D+01  0.123529D+01
      2  -0.275856D+00 -0.925429D+01 -0.634549D+01  0.251447D+01 -0.338241D+00
      3  -0.215899D+01  0.206766D+02 -0.122672D+02  0.708258D+01 -0.897050D+00
      4  -0.425875D+01  0.408115D+01 -0.136345D+02  0.156436D+02 -0.166104D+00
      5   0.353610D+01 -0.224199D+02  0.920938D+00  0.332356D-01  0.463525D+01
      6   0.532373D+01 -0.537769D+01  0.427294D+00 -0.248279D+00 -0.105950D+01
                76            77            78            79            80 
      1  -0.135569D+02  0.589718D+01 -0.125811D+00  0.247806D+01  0.546042D+00
      2   0.277079D+01  0.639627D+01 -0.270687D+00 -0.825884D+00 -0.497286D+00
      3   0.107861D+02 -0.122935D+02  0.396498D+00 -0.165218D+01 -0.487558D-01
      4   0.196246D+02 -0.236088D+02  0.183535D+01 -0.273527D+00  0.216537D+01
      5   0.476050D+00  0.148582D+01 -0.516625D+01  0.518304D+01 -0.348846D+01
      6  -0.611923D+00  0.874555D+00  0.366217D+01 -0.179335D+01  0.380113D+01
                81            82            83            84            85 
      1   0.526808D+00  0.175507D+02  0.751916D+01  0.482032D+01  0.109144D+02
      2  -0.834018D+00 -0.617891D+01 -0.148258D+01 -0.196836D+01 -0.200358D+01
      3   0.307209D+00 -0.113718D+02 -0.603658D+01 -0.285196D+01 -0.891084D+01
      4  -0.297196D+01  0.132792D+02  0.143429D+02  0.452447D+01  0.178698D+02
      5  -0.181132D+00  0.643188D+01  0.394384D+01  0.651831D+01  0.505605D+01
      6  -0.118587D+01  0.225713D+01  0.118978D+01  0.162182D+01  0.209154D+01
                86            87            88            89            90 
      1   0.419723D+01  0.143679D+01  0.752180D+01  0.110833D+01  0.829544D+00
      2   0.598381D+01  0.751107D+00 -0.361010D+01  0.796614D+00 -0.221328D+01
      3  -0.101810D+02 -0.218790D+01 -0.391170D+01 -0.190494D+01  0.138373D+01
      4   0.182982D+02  0.647159D+01  0.636684D+01  0.762687D+01  0.628046D+01
      5   0.579679D+01  0.761414D+01  0.774034D+01  0.612505D+01  0.686182D+01
      6   0.402701D+01  0.449690D+01  0.276199D+01  0.445129D+01  0.394990D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:14:51 2021, MaxMem=  6442450944 cpu:             463.5 elap:              58.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27491 -10.35731 -10.34971 -10.29885  -1.16894
 Alpha  occ. eigenvalues --   -0.84287  -0.75352  -0.68950  -0.60307  -0.56094
 Alpha  occ. eigenvalues --   -0.51815  -0.49360  -0.46413  -0.45422  -0.39037
 Alpha  occ. eigenvalues --   -0.35970
 Alpha virt. eigenvalues --    0.09266   0.11520   0.11982   0.13388   0.16281
 Alpha virt. eigenvalues --    0.16747   0.17542   0.18040   0.20594   0.21098
 Alpha virt. eigenvalues --    0.22378   0.23584   0.23690   0.25459   0.27653
 Alpha virt. eigenvalues --    0.29338   0.31867   0.33451   0.33826   0.35421
 Alpha virt. eigenvalues --    0.36725   0.37571   0.38919   0.39113   0.39998
 Alpha virt. eigenvalues --    0.40692   0.42027   0.42948   0.44716   0.45565
 Alpha virt. eigenvalues --    0.45841   0.47906   0.48572   0.50135   0.50816
 Alpha virt. eigenvalues --    0.52121   0.53504   0.54060   0.54552   0.56032
 Alpha virt. eigenvalues --    0.56441   0.57148   0.57628   0.60369   0.61091
 Alpha virt. eigenvalues --    0.62380   0.63024   0.66272   0.67553   0.73453
 Alpha virt. eigenvalues --    0.75787   0.77317   0.78339   0.81149   0.88824
 Alpha virt. eigenvalues --    0.92376   0.94046   0.96625   0.99182   1.02399
 Alpha virt. eigenvalues --    1.04989   1.07957   1.08828   1.09384   1.10766
 Alpha virt. eigenvalues --    1.16656   1.20720   1.22201   1.24878   1.29515
 Alpha virt. eigenvalues --    1.31962   1.37798   1.46637   1.57911   1.61384
 Alpha virt. eigenvalues --    1.63918   1.67102   1.70838   1.73834   1.76610
 Alpha virt. eigenvalues --    1.79832   1.83971   1.89304   1.91793   1.97300
 Alpha virt. eigenvalues --    2.02024   2.02417   2.05998   2.06139   2.11101
 Alpha virt. eigenvalues --    2.13856   2.19797   2.21182   2.26103   2.31317
 Alpha virt. eigenvalues --    2.34950   2.36236   2.44691   2.52712   2.53658
 Alpha virt. eigenvalues --    2.63450   2.68049   2.72595   2.87623   2.96371
 Alpha virt. eigenvalues --    3.01171   3.05648   3.07932   3.14023   3.16076
 Alpha virt. eigenvalues --    3.20443   3.23158   3.31649   3.56224   3.63920
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.225351   0.268759   0.202595   0.380576   0.374404   0.002460
     2  C    0.268759   4.846747  -0.005331  -0.040796   0.017091   0.334694
     3  O    0.202595  -0.005331   8.574532  -0.004487  -0.018399  -0.052181
     4  H    0.380576  -0.040796  -0.004487   0.844095  -0.071498   0.029493
     5  H    0.374404   0.017091  -0.018399  -0.071498   0.834026  -0.056075
     6  H    0.002460   0.334694  -0.052181   0.029493  -0.056075   1.093932
     7  C   -0.037921   0.453218  -0.029103  -0.038495   0.008691  -0.026011
     8  H   -0.030817   0.132919  -0.013247  -0.000968   0.001090   0.013265
     9  H    0.005329   0.079438  -0.006445  -0.000446  -0.000185  -0.014554
    10  H   -0.000367   0.025884   0.003355   0.003908   0.001241  -0.018324
               7          8          9         10
     1  C   -0.037921  -0.030817   0.005329  -0.000367
     2  C    0.453218   0.132919   0.079438   0.025884
     3  O   -0.029103  -0.013247  -0.006445   0.003355
     4  H   -0.038495  -0.000968  -0.000446   0.003908
     5  H    0.008691   0.001090  -0.000185   0.001241
     6  H   -0.026011   0.013265  -0.014554  -0.018324
     7  C    4.278329   0.319173   0.285684   0.311093
     8  H    0.319173   0.555825   0.005836   0.030673
     9  H    0.285684   0.005836   0.529162   0.025997
    10  H    0.311093   0.030673   0.025997   0.515568
 Mulliken charges:
               1
     1  C    0.609631
     2  C   -0.112623
     3  O   -0.651289
     4  H   -0.101382
     5  H   -0.090386
     6  H   -0.306698
     7  C    0.475342
     8  H   -0.013749
     9  H    0.090183
    10  H    0.100971
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.417863
     2  C   -0.419321
     3  O   -0.651289
     7  C    0.652747
 Electronic spatial extent (au):  <R**2>=            267.0595
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9102    Y=              1.7665    Z=              0.7089  Tot=              2.1099
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -24.2713   YY=            -26.4393   ZZ=            -24.2355
   XY=             -2.4571   XZ=             -0.3832   YZ=             -1.1622
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7107   YY=             -1.4572   ZZ=              0.7465
   XY=             -2.4571   XZ=             -0.3832   YZ=             -1.1622
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -3.6608  YYY=             -1.1892  ZZZ=             -0.0373  XYY=              0.8763
  XXY=              1.7705  XXZ=              0.8803  XZZ=             -1.0631  YZZ=              0.0153
  YYZ=             -0.1349  XYZ=              0.4638
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -215.8960 YYYY=            -76.2036 ZZZZ=            -54.6759 XXXY=             -2.3126
 XXXZ=             -0.2285 YYYX=             -1.0069 YYYZ=             -0.4801 ZZZX=             -0.0744
 ZZZY=             -2.0814 XXYY=            -47.7043 XXZZ=            -45.6217 YYZZ=            -22.2038
 XXYZ=              1.4194 YYXZ=              1.0122 ZZXY=              0.0310
 N-N= 1.248355771915D+02 E-N=-6.986625300315D+02  KE= 1.908781215040D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:14:52 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.37216662D-01 6.51403454D-01 2.66668172D-01
 Polarizability= 4.48763905D+01-2.93312603D+00 3.57863909D+01
                 9.62235258D-01-1.23787392D+00 3.61062710D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.4317   -0.4318       -1.1659   -1.1665
 2      0.4317    0.4318        0.3281    0.3284       -3.9876   -3.9858
 3      1.1659    1.1665        4.1822    4.1799       -0.3279   -0.3284
 4     -0.3281   -0.3284       -0.0000    0.0000        1.1664    1.1665
 5     -0.1946   -0.1941       -1.1664   -1.1665       -0.4317   -0.4318
 6      0.3279    0.3284        0.4317    0.4318        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2953    1.2953       -3.4994   -3.4994
 2     -0.9852   -0.9852        0.0000    0.0000       -3.4994   -3.4994
 3     -0.9852   -0.9852        1.2953    1.2953        0.0000    0.0000
 4      1.2953    1.2953        0.9852    0.9852      -11.9574  -11.9574
 5      3.4994    3.4994       12.5398   12.5398       -0.9852   -0.9852
 6     -0.5824   -0.5824       -3.4994   -3.4994       -1.2953   -1.2953
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0256    0.0000        1.8451    1.7271        4.8965    4.6659
 2     -1.7101   -1.7271       -1.2031   -1.3136       15.8430   15.9433
 3     -4.7364   -4.6659      -16.7677  -16.7197        1.2700    1.3136
 4      1.3887    1.3136        0.0391    0.0000       -4.6386   -4.6659
 5      0.6407    0.7765        4.6215    4.6659        1.6488    1.7271
 6     -1.3427   -1.3136       -1.5604   -1.7271        0.0409    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0356    0.0000       -2.1520   -2.3144        3.2329    3.2207
 2      2.2851    2.3144        0.9682    0.8267       -0.0438    0.0926
 3     -3.2042   -3.2207       -4.4526   -4.4084       -0.7751   -0.8267
 4     -0.8289   -0.8267       -0.0876    0.0000       -3.2812   -3.2207
 5      4.3959    4.3158        3.3491    3.2207       -2.3926   -2.3144
 6      0.8219    0.8267        2.2942    2.3144        0.0358    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.3596   -4.3614       -3.3905   -3.3830        8.8037    8.8511
 2     -5.9135   -5.9157       -4.2077   -4.2177        8.7802    8.8511
 3     -5.8940   -5.9157       -3.4370   -3.3830        9.4528    9.5425
 4      0.7404    0.8347        1.5817    1.5543        1.2695    1.3397
 5      0.6652    0.6914       -6.6328   -6.5797       -1.5052   -1.5543
 6      5.4268    5.2400       -0.6206   -0.6914       -1.0200   -0.8347
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2549   -2.6807    0.0012    0.0012    0.0012    1.3940
 Low frequencies ---  208.5603  368.3053  412.7048
 Diagonal vibrational polarizability:
        2.4450325       2.1399991       1.0898724
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    208.5603               368.3052               412.7048
 Red. masses --      1.0932                 2.3273                 2.4401
 Frc consts  --      0.0280                 0.1860                 0.2449
 IR Inten    --      0.4184                 3.6511                 4.5016
 RamAct Fr= 1--      0.0512                 0.7665                 0.9516
  Dep-P Fr= 1--      0.6516                 0.5697                 0.2248
  Dep-U Fr= 1--      0.7891                 0.7258                 0.3671
 Alpha2 Fr= 1--      0.0001                 0.0026                 0.0121
 Beta2  Fr= 1--      0.0067                 0.0927                 0.0582
 AlphaG Fr= 1--      0.0008                 0.0000                -0.0089
 Gamma2 Fr= 1--      0.0016                -0.1358                -0.0798
 Delta2 Fr= 1--     -0.0109                -0.0320                 0.0001
 Raman1 Fr= 1--       0.205                  3.066                  3.806
 ROA1   Fr= 1--      -0.201                -14.064                 -7.656
 CID1   Fr= 1--      -0.979                 -4.587                 -2.011
 Raman2 Fr= 1--       0.081                  1.113                  0.699
 ROA2   Fr= 1--       0.125                 -3.004                 -1.915
 CID2   Fr= 1--       1.546                 -2.699                 -2.741
 Raman3 Fr= 1--       0.162                  2.225                  1.397
 ROA3   Fr= 1--      -0.201                -14.064                 -7.656
 CID3   Fr= 1--      -1.241                 -6.320                 -5.479
 RC180  Fr= 1--       0.578                  0.452                 -0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04     0.18   0.03  -0.07     0.08   0.01  -0.03
     2   6    -0.00   0.05   0.00     0.00  -0.17   0.02    -0.04   0.01   0.20
     3   8     0.02  -0.02   0.04    -0.14  -0.05   0.07     0.16   0.02  -0.05
     4   1    -0.03  -0.06  -0.07     0.45  -0.09  -0.13     0.36   0.09   0.05
     5   1    -0.03  -0.00  -0.06     0.17   0.31  -0.21    -0.13  -0.06  -0.27
     6   1     0.00   0.10   0.01     0.01  -0.15   0.02    -0.09  -0.06   0.19
     7   6     0.00  -0.01  -0.00    -0.04   0.13  -0.01    -0.19  -0.03  -0.06
     8   1     0.04   0.53   0.10    -0.13   0.38   0.05    -0.60  -0.11  -0.04
     9   1    -0.26  -0.22  -0.46     0.23   0.27  -0.25    -0.22  -0.06  -0.23
    10   1     0.25  -0.40   0.36    -0.25   0.18   0.16     0.03  -0.02  -0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    773.2803               846.2451               909.0682
 Red. masses --      3.6376                 3.1441                 1.2762
 Frc consts  --      1.2815                 1.3266                 0.6214
 IR Inten    --      7.6508                43.0417                 2.6520
 RamAct Fr= 1--      7.8584                 8.0049                 2.8724
  Dep-P Fr= 1--      0.5227                 0.6215                 0.6153
  Dep-U Fr= 1--      0.6865                 0.7666                 0.7618
 Alpha2 Fr= 1--      0.0348                 0.0188                 0.0071
 Beta2  Fr= 1--      0.8992                 1.0227                 0.3647
 AlphaG Fr= 1--      0.0162                -0.0072                 0.0059
 Gamma2 Fr= 1--      0.7724                -1.0120                -0.6523
 Delta2 Fr= 1--      0.4322                -0.0684                -0.6146
 Raman1 Fr= 1--      31.434                 32.020                 11.490
 ROA1   Fr= 1--      87.981                -99.344                -82.288
 CID1   Fr= 1--       2.799                 -3.103                 -7.162
 Raman2 Fr= 1--      10.790                 12.272                  4.376
 ROA2   Fr= 1--      15.080                -23.741                -10.738
 CID2   Fr= 1--       1.398                 -1.935                 -2.454
 Raman3 Fr= 1--      21.581                 24.545                  8.753
 ROA3   Fr= 1--      87.981                -99.344                -82.288
 CID3   Fr= 1--       4.077                 -4.047                 -9.401
 RC180  Fr= 1--       0.373                  0.533                  0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.22   0.05     0.20  -0.08   0.06    -0.01   0.05   0.07
     2   6    -0.09  -0.09  -0.22     0.04   0.22   0.00    -0.05   0.03  -0.02
     3   8     0.20  -0.10   0.06    -0.12  -0.16  -0.13    -0.01  -0.08   0.01
     4   1    -0.25   0.06  -0.07     0.03   0.04   0.13     0.51   0.11   0.16
     5   1     0.26   0.09   0.31     0.54   0.11   0.42    -0.34   0.02  -0.36
     6   1     0.04   0.23  -0.13    -0.04   0.33   0.01     0.20  -0.23  -0.08
     7   6    -0.21  -0.04   0.02    -0.10   0.05   0.05     0.01   0.06  -0.05
     8   1     0.16   0.05   0.01    -0.07  -0.08   0.02     0.37  -0.10  -0.12
     9   1    -0.18   0.01   0.22    -0.38  -0.10   0.16    -0.28  -0.09   0.25
    10   1    -0.49  -0.04   0.35     0.15  -0.07  -0.05     0.15  -0.10   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    975.4215              1043.2588              1130.8804
 Red. masses --      2.4011                 1.1810                 1.4750
 Frc consts  --      1.3460                 0.7573                 1.1114
 IR Inten    --     15.5528                 8.6648                 6.7644
 RamAct Fr= 1--      5.9348                 1.1915                 1.4984
  Dep-P Fr= 1--      0.1471                 0.3454                 0.4105
  Dep-U Fr= 1--      0.2564                 0.5135                 0.5821
 Alpha2 Fr= 1--      0.0924                 0.0106                 0.0107
 Beta2  Fr= 1--      0.2536                 0.1020                 0.1454
 AlphaG Fr= 1--      0.0174                 0.0246                -0.0178
 Gamma2 Fr= 1--      0.2949                 0.2375                -0.0269
 Delta2 Fr= 1--      0.0312                 0.2410                -0.1468
 Raman1 Fr= 1--      23.739                  4.766                  5.994
 ROA1   Fr= 1--      29.308                 30.512                 -7.278
 CID1   Fr= 1--       1.235                  6.402                 -1.214
 Raman2 Fr= 1--       3.044                  1.224                  1.744
 ROA2   Fr= 1--       6.828                  3.772                  0.529
 CID2   Fr= 1--       2.243                  3.082                  0.303
 Raman3 Fr= 1--       6.087                  2.447                  3.489
 ROA3   Fr= 1--      29.308                 30.512                 -7.278
 CID3   Fr= 1--       4.815                 12.468                 -2.086
 RC180  Fr= 1--      -0.487                  0.027                  0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.04     0.01   0.01   0.00    -0.06   0.01   0.10
     2   6    -0.13  -0.04   0.01    -0.03   0.04   0.04    -0.00   0.10   0.03
     3   8     0.01  -0.16  -0.02    -0.02  -0.03  -0.02     0.03  -0.04  -0.06
     4   1    -0.15   0.07  -0.04     0.16   0.37   0.26     0.16  -0.47  -0.19
     5   1    -0.03   0.11   0.06    -0.15  -0.31  -0.07    -0.02   0.62  -0.09
     6   1    -0.43   0.14   0.06    -0.03   0.54   0.14     0.02  -0.14  -0.02
     7   6     0.17   0.04   0.03     0.03  -0.08  -0.06     0.01  -0.09  -0.02
     8   1    -0.34  -0.07   0.04     0.14   0.17  -0.01    -0.01   0.18   0.04
     9   1     0.15  -0.02  -0.34     0.35   0.12  -0.07     0.32   0.10  -0.07
    10   1     0.46   0.07  -0.39    -0.32   0.05   0.16    -0.31   0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1158.5581              1167.6529              1190.1083
 Red. masses --      1.3981                 1.5867                 1.5879
 Frc consts  --      1.1056                 1.2746                 1.3251
 IR Inten    --      1.7277                 3.6287                 0.6942
 RamAct Fr= 1--      2.2774                 1.5690                 3.0167
  Dep-P Fr= 1--      0.6022                 0.5362                 0.1475
  Dep-U Fr= 1--      0.7518                 0.6981                 0.2571
 Alpha2 Fr= 1--      0.0062                 0.0065                 0.0469
 Beta2  Fr= 1--      0.2853                 0.1825                 0.1293
 AlphaG Fr= 1--      0.0026                -0.0036                 0.0220
 Gamma2 Fr= 1--      0.4504                 0.1958                -0.8683
 Delta2 Fr= 1--      0.0786                 0.1365                -0.3789
 Raman1 Fr= 1--       9.110                  6.276                 12.067
 ROA1   Fr= 1--      45.751                 23.163                -95.483
 CID1   Fr= 1--       5.022                  3.691                 -7.913
 Raman2 Fr= 1--       3.424                  2.191                  1.551
 ROA2   Fr= 1--      10.181                  3.607                -17.808
 CID2   Fr= 1--       2.973                  1.647                -11.481
 Raman3 Fr= 1--       6.848                  4.381                  3.102
 ROA3   Fr= 1--      45.751                 23.163                -95.483
 CID3   Fr= 1--       6.681                  5.287                -30.780
 RC180  Fr= 1--       0.504                  0.396                 -0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.09  -0.04    -0.05  -0.01  -0.05    -0.01  -0.05   0.11
     2   6    -0.08  -0.05   0.00     0.05   0.10  -0.12     0.06  -0.07  -0.14
     3   8     0.05   0.04   0.02     0.00  -0.03   0.06    -0.01   0.05  -0.02
     4   1     0.45   0.20   0.22     0.32   0.46   0.29     0.32  -0.28  -0.01
     5   1     0.41   0.47   0.37     0.02  -0.02   0.04    -0.27   0.06  -0.26
     6   1    -0.25   0.19   0.05     0.08  -0.42  -0.24    -0.02   0.68   0.01
     7   6     0.02   0.03  -0.04    -0.01  -0.06   0.10    -0.01   0.02   0.08
     8   1     0.17  -0.04  -0.07    -0.44   0.05   0.16    -0.31  -0.11   0.08
     9   1    -0.04  -0.01   0.02     0.13   0.00  -0.20    -0.12  -0.07  -0.11
    10   1     0.11  -0.04  -0.02    -0.10   0.13  -0.11     0.10   0.03  -0.10
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1295.6811              1407.4016              1441.0215
 Red. masses --      1.5711                 1.2498                 1.6122
 Frc consts  --      1.5540                 1.4586                 1.9724
 IR Inten    --      5.4334                 3.4464                21.3968
 RamAct Fr= 1--     19.9665                 1.1501                 7.8184
  Dep-P Fr= 1--      0.2165                 0.4191                 0.2859
  Dep-U Fr= 1--      0.3559                 0.5906                 0.4446
 Alpha2 Fr= 1--      0.2595                 0.0079                 0.0836
 Beta2  Fr= 1--      1.1843                 0.1132                 0.5794
 AlphaG Fr= 1--     -0.0129                 0.0021                -0.0395
 Gamma2 Fr= 1--      0.5492                 0.1186                -0.7622
 Delta2 Fr= 1--     -0.0184                 0.0704                -0.2221
 Raman1 Fr= 1--      79.866                  4.600                 31.273
 ROA1   Fr= 1--      52.131                 13.635                -80.276
 CID1   Fr= 1--       0.653                  2.964                 -2.567
 Raman2 Fr= 1--      14.211                  1.359                  6.952
 ROA2   Fr= 1--      13.328                  2.283                -16.515
 CID2   Fr= 1--       0.938                  1.681                 -2.375
 Raman3 Fr= 1--      28.423                  2.717                 13.905
 ROA3   Fr= 1--      52.131                 13.635                -80.276
 CID3   Fr= 1--       1.834                  5.018                 -5.773
 RC180  Fr= 1--      -0.288                  0.181                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.07     0.02  -0.01   0.01    -0.04   0.03   0.00
     2   6     0.09  -0.07   0.07    -0.07   0.01  -0.02     0.19  -0.02   0.00
     3   8    -0.01  -0.06  -0.05     0.00   0.02   0.00    -0.01  -0.04   0.00
     4   1    -0.09   0.22   0.02     0.08  -0.12  -0.05    -0.15   0.22   0.10
     5   1     0.05   0.32   0.06     0.04  -0.14   0.07    -0.15   0.24  -0.19
     6   1     0.82   0.26   0.16     0.31   0.01  -0.02    -0.61  -0.01  -0.01
     7   6    -0.02   0.02   0.03    -0.10  -0.03   0.07    -0.12   0.01  -0.01
     8   1    -0.09  -0.08   0.02     0.48   0.08   0.03     0.21  -0.02  -0.04
     9   1    -0.05  -0.01   0.02     0.37   0.21  -0.29     0.27   0.25   0.11
    10   1     0.07  -0.04   0.03     0.37  -0.03  -0.44     0.31  -0.29   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1483.2160              1496.8023              1532.1776
 Red. masses --      1.0508                 1.0594                 1.3754
 Frc consts  --      1.3620                 1.3984                 1.9024
 IR Inten    --      5.4887                 6.3102                 5.7259
 RamAct Fr= 1--      3.2091                 4.4140                 2.7197
  Dep-P Fr= 1--      0.7454                 0.7042                 0.3656
  Dep-U Fr= 1--      0.8541                 0.8265                 0.5354
 Alpha2 Fr= 1--      0.0003                 0.0035                 0.0227
 Beta2  Fr= 1--      0.4568                 0.6080                 0.2427
 AlphaG Fr= 1--      0.0021                -0.0068                -0.0104
 Gamma2 Fr= 1--     -0.2621                 1.4609                -0.4887
 Delta2 Fr= 1--     -0.0814                 0.4689                -0.0691
 Raman1 Fr= 1--      12.836                 17.656                 10.879
 ROA1   Fr= 1--     -27.763                155.247                -49.121
 CID1   Fr= 1--      -2.163                  8.793                 -4.515
 Raman2 Fr= 1--       5.482                  7.296                  2.912
 ROA2   Fr= 1--      -5.638                 31.310                -11.175
 CID2   Fr= 1--      -1.028                  4.291                 -3.837
 Raman3 Fr= 1--      10.964                 14.592                  5.825
 ROA3   Fr= 1--     -27.763                155.247                -49.121
 CID3   Fr= 1--      -2.532                 10.639                 -8.433
 RC180  Fr= 1--       0.708                  0.653                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.09   0.10  -0.03
     2   6     0.03  -0.03   0.01    -0.04   0.00  -0.02     0.10  -0.01   0.03
     3   8     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.02  -0.01
     4   1    -0.10   0.09   0.05     0.12  -0.09  -0.05     0.53  -0.34  -0.24
     5   1    -0.03   0.11  -0.08     0.04  -0.12   0.09     0.10  -0.49   0.43
     6   1    -0.07   0.04   0.02     0.14   0.01  -0.02    -0.18  -0.01   0.03
     7   6     0.01  -0.05   0.00     0.00  -0.02  -0.04    -0.02  -0.00  -0.00
     8   1     0.14   0.62   0.13    -0.42   0.30   0.08     0.10   0.05  -0.00
     9   1    -0.28  -0.17   0.29     0.25   0.21   0.58    -0.11  -0.06   0.00
    10   1    -0.05   0.30  -0.49     0.34  -0.30   0.07    -0.08   0.07  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --   3032.9805              3083.5766              3090.9648
 Red. masses --      1.0353                 1.0500                 1.1007
 Frc consts  --      5.6113                 5.8826                 6.1961
 IR Inten    --     17.9721                27.9875                18.6482
 RamAct Fr= 1--    179.2423               104.3576                71.6087
  Dep-P Fr= 1--      0.0112                 0.0878                 0.6962
  Dep-U Fr= 1--      0.0222                 0.1615                 0.8209
 Alpha2 Fr= 1--      3.8800                 1.8822                 0.0673
 Beta2  Fr= 1--      0.6633                 2.8083                 9.7971
 AlphaG Fr= 1--     -0.1038                 0.2279                 0.1242
 Gamma2 Fr= 1--     -0.1852                 6.0681                 1.3900
 Delta2 Fr= 1--      0.0962                 0.7213                 2.0693
 Raman1 Fr= 1--     716.969                417.431                286.435
 ROA1   Fr= 1--     -14.705                605.618                199.660
 CID1   Fr= 1--      -0.021                  1.451                  0.697
 Raman2 Fr= 1--       7.959                 33.700                117.565
 ROA2   Fr= 1--      -5.216                139.864                 16.805
 CID2   Fr= 1--      -0.655                  4.150                  0.143
 Raman3 Fr= 1--      15.918                 67.400                235.130
 ROA3   Fr= 1--     -14.705                605.618                199.660
 CID3   Fr= 1--      -0.924                  8.985                  0.849
 RC180  Fr= 1--      -0.956                 -0.677                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.04   0.04  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   1     0.00   0.01  -0.01    -0.07  -0.38   0.60    -0.00  -0.00   0.00
     5   1    -0.00   0.00   0.00     0.51  -0.15  -0.42    -0.00   0.00   0.00
     6   1     0.00  -0.01   0.03     0.00  -0.03   0.15     0.00   0.02  -0.11
     7   6     0.05   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.09  -0.03
     8   1     0.05  -0.10   0.48    -0.01   0.01  -0.06     0.01  -0.04   0.09
     9   1    -0.29   0.50  -0.06    -0.02   0.04  -0.00    -0.37   0.58  -0.08
    10   1    -0.33  -0.47  -0.28    -0.01  -0.01  -0.01     0.37   0.51   0.31
                     22                     23                     24
                      A                      A                      A
 Frequencies --   3091.8404              3114.6657              3167.3052
 Red. masses --      1.0901                 1.0998                 1.1202
 Frc consts  --      6.1397                 6.2862                 6.6211
 IR Inten    --     10.5636                37.0962                29.6776
 RamAct Fr= 1--    171.3026                24.7589                66.0279
  Dep-P Fr= 1--      0.2999                 0.2111                 0.6876
  Dep-U Fr= 1--      0.4614                 0.3486                 0.8149
 Alpha2 Fr= 1--      1.7575                 0.3264                 0.0724
 Beta2  Fr= 1--     13.1737                 1.4384                 8.9673
 AlphaG Fr= 1--     -0.3202                -0.1518                 0.1198
 Gamma2 Fr= 1--    -12.3623                 2.7449                 2.8679
 Delta2 Fr= 1--     -8.9102                 2.4237                 2.3991
 Raman1 Fr= 1--     685.210                 99.036                264.111
 ROA1   Fr= 1--   -1471.910                341.068                352.092
 CID1   Fr= 1--      -2.148                  3.444                  1.333
 Raman2 Fr= 1--     158.084                 17.261                107.608
 ROA2   Fr= 1--    -225.414                 46.488                 49.637
 CID2   Fr= 1--      -1.426                  2.693                  0.461
 Raman3 Fr= 1--     316.168                 34.522                215.215
 ROA3   Fr= 1--   -1471.910                341.068                352.092
 CID3   Fr= 1--      -4.655                  9.880                  1.636
 RC180  Fr= 1--      -0.077                 -0.303                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.05   0.02  -0.08
     2   6     0.00   0.02  -0.07    -0.00   0.01  -0.04     0.00   0.00  -0.01
     3   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.02   0.09  -0.14     0.01   0.03  -0.05    -0.05  -0.36   0.56
     5   1    -0.06   0.01   0.04     0.04  -0.01  -0.03    -0.56   0.17   0.43
     6   1    -0.01  -0.17   0.82    -0.01  -0.10   0.48     0.00  -0.03   0.10
     7   6     0.01  -0.02   0.04    -0.03   0.02  -0.07    -0.00   0.00  -0.00
     8   1    -0.04   0.09  -0.42     0.06  -0.15   0.73     0.00  -0.01   0.03
     9   1    -0.12   0.21  -0.02     0.16  -0.28   0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.05  -0.02     0.15   0.22   0.12     0.01   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Molecular mass:    58.04186 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    99.06019 270.16776 303.22575
           X            0.99884  -0.04603  -0.01409
           Y            0.04415   0.99263  -0.11282
           Z            0.01918   0.11207   0.99352
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.87436     0.32059     0.28564
 Rotational constants (GHZ):          18.21863     6.68008     5.95181
 Zero-point vibrational energy     223831.3 (Joules/Mol)
                                   53.49697 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.07   529.91   593.79  1112.58  1217.56
          (Kelvin)           1307.95  1403.41  1501.02  1627.08  1666.91
                             1679.99  1712.30  1864.20  2024.94  2073.31
                             2134.02  2153.56  2204.46  4363.78  4436.58
                             4447.21  4448.47  4481.31  4557.05
 
 Zero-point correction=                           0.085253 (Hartree/Particle)
 Thermal correction to Energy=                    0.089666
 Thermal correction to Enthalpy=                  0.090610
 Thermal correction to Gibbs Free Energy=         0.058882
 Sum of electronic and zero-point Energies=           -193.114009
 Sum of electronic and thermal Energies=              -193.109597
 Sum of electronic and thermal Enthalpies=            -193.108652
 Sum of electronic and thermal Free Energies=         -193.140380
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   56.266             14.762             66.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.096
 Rotational               0.889              2.981             23.610
 Vibrational             54.489              8.801              5.069
 Vibration     1          0.642              1.828              2.056
 Vibration     2          0.741              1.537              1.087
 Vibration     3          0.776              1.443              0.917
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.824081D-27        -27.084030        -62.363284
 Total V=0       0.134749D+13         12.129526         27.929265
 Vib (Bot)       0.147031D-38        -38.832591        -89.415345
 Vib (Bot)    1  0.952867D+00         -0.020968         -0.048280
 Vib (Bot)    2  0.494886D+00         -0.305495         -0.703428
 Vib (Bot)    3  0.427820D+00         -0.368739         -0.849053
 Vib (V=0)       0.240417D+01          0.380965          0.877204
 Vib (V=0)    1  0.157608D+01          0.197579          0.454943
 Vib (V=0)    2  0.120350D+01          0.080446          0.185234
 Vib (V=0)    3  0.115805D+01          0.063727          0.146737
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.173806D+08          7.240066         16.670868
 Rotational      0.322474D+05          4.508495         10.381193
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33333 3                                                           111 11    1  1111   1                                         
     11000 0                                                           544 44    2  1111   0 9  9  8 7              4 3     2        
     61998 3                                                           398 40    9  9653   4 7  0  4 7              1 6     0        
     75214 3                                                           273 17    6  0891   3 5  9  6 3              3 8     9        
 
     XXXXX X                                                           XXX XX    X  XXXX   X X  X  X X              X X     X        
     XXXXX X                                                           XXX XX    X   X X   X X     X X              X X              
     XXXXX X                                                           XXX X     X     X   X X     X X                               
     XXXXX X                                                               X               X X     X X                               
     XXXXX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                       X                                 
     XX XX                                                                 X                       X                                 
     XX  X                                                                 X                       X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
                                                                                                   X                                 
                                                                                                   X                                 
                                                                                                   X                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001753   -0.000000545    0.000000103
      2        6          -0.000002096   -0.000001456    0.000003468
      3        8          -0.000000351   -0.000000432    0.000000897
      4        1           0.000003247    0.000000589   -0.000003758
      5        1          -0.000001297    0.000000211    0.000001116
      6        1           0.000000049    0.000000068    0.000000469
      7        6           0.000002878   -0.000001473   -0.000003016
      8        1          -0.000003004    0.000001178    0.000001581
      9        1           0.000000402    0.000000237   -0.000000877
     10        1          -0.000001580    0.000001623    0.000000018
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000003758 RMS     0.000001730
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.522567D+00
      2 -0.157126D+00  0.439494D+00
      3 -0.108173D+00 -0.135505D+00  0.549398D+00
      4 -0.205289D+00  0.124831D+00 -0.607234D-01  0.592733D+00
      5  0.765727D-01 -0.498009D-01  0.516438D-01 -0.382914D-01  0.279221D+00
      6 -0.696786D-01  0.772233D-01 -0.862307D-01  0.336646D-01 -0.895262D-01
      7 -0.324195D-01 -0.100829D-02  0.168730D-01 -0.113853D+00 -0.483605D-01
      8  0.388367D-01 -0.217794D+00 -0.121355D-01 -0.866648D-01 -0.844057D-01
      9  0.258899D-01 -0.330541D-01 -0.546621D-01 -0.536510D-01 -0.378219D-01
     10 -0.535078D-01 -0.938752D-02  0.293756D-01  0.434096D-02  0.147296D-01
     11 -0.124654D-01 -0.112845D+00  0.118141D+00  0.127956D-03 -0.498189D-02
     12  0.275079D-01  0.123557D+00 -0.249626D+00  0.460161D-02  0.600940D-02
     13 -0.209076D+00  0.453904D-01  0.131543D+00 -0.135676D-01  0.288948D-02
     14  0.388132D-01 -0.541025D-01 -0.275256D-01 -0.126420D-02 -0.746937D-02
     15  0.131152D+00 -0.267949D-01 -0.156183D+00 -0.133386D-01  0.200689D-02
     16 -0.273725D-02  0.135840D-02 -0.197146D-01 -0.502986D-01 -0.204812D-02
     17 -0.415486D-02 -0.680000D-02  0.236040D-01  0.263555D-02 -0.577838D-01
     18 -0.745279D-03 -0.278877D-02 -0.323732D-02  0.118235D-01  0.603984D-01
     19 -0.188137D-01 -0.409320D-02  0.521320D-02 -0.181885D+00 -0.503361D-02
     20  0.227294D-01 -0.179650D-03 -0.171867D-01  0.171299D-02 -0.743107D-01
     21 -0.497664D-02 -0.265159D-02  0.172865D-02  0.647057D-01  0.805986D-02
     22  0.164073D-02  0.311829D-03  0.168179D-02  0.985356D-03 -0.636406D-02
     23  0.134417D-03  0.113671D-02 -0.851464D-03 -0.434617D-03 -0.201197D-02
     24 -0.103326D-02 -0.134984D-03  0.279418D-03 -0.165294D-02  0.243364D-02
     25 -0.344474D-02  0.572262D-03  0.529160D-02 -0.202283D-01  0.278409D-01
     26 -0.234901D-02  0.753746D-03 -0.374498D-03 -0.227063D-02  0.394280D-02
     27  0.944319D-03  0.399617D-03 -0.172869D-02  0.885914D-02 -0.143811D-01
     28  0.108053D-02 -0.849717D-03 -0.136733D-02 -0.129380D-01 -0.219349D-01
     29 -0.991628D-03  0.137592D-03  0.189888D-03 -0.382177D-03 -0.239906D-02
     30 -0.887061D-03 -0.250263D-03  0.262561D-03  0.571143D-02  0.111773D-01
                6             7             8             9            10 
      6  0.620284D+00
      7 -0.412045D-01  0.171671D+00
      8 -0.579937D-01  0.488325D-01  0.340333D+00
      9 -0.105293D+00  0.543535D-01  0.831523D-01  0.145693D+00
     10 -0.236221D-01 -0.314058D-03 -0.140659D-02  0.244505D-02  0.493774D-01
     11 -0.502454D-02  0.566348D-02 -0.275027D-01  0.256987D-01  0.633000D-02
     12 -0.121556D-01 -0.382412D-02 -0.485119D-02  0.158442D-01 -0.274379D-01
     13  0.185601D-01  0.657210D-02  0.523700D-02 -0.772865D-02  0.279189D-03
     14  0.175703D-02  0.307806D-01 -0.165903D-01 -0.174354D-01 -0.118415D-01
     15  0.120492D-01  0.510287D-02 -0.668230D-02 -0.739214D-03  0.186465D-01
     16  0.123893D-01 -0.675517D-02  0.288887D-02 -0.207564D-01 -0.158989D-02
     17  0.643553D-01 -0.519627D-02  0.587008D-02 -0.310666D-01  0.309743D-02
     18 -0.301865D+00 -0.124503D-01 -0.177007D-02 -0.132831D-01  0.450162D-03
     19  0.582050D-01 -0.236860D-01 -0.561593D-02 -0.136371D-02  0.150210D-02
     20  0.869755D-02 -0.342129D-01 -0.209315D-02  0.893042D-02 -0.134591D-02
     21 -0.118070D+00 -0.206588D-01 -0.231672D-02  0.884985D-02 -0.971823D-03
     22  0.331769D-01  0.294810D-02 -0.443335D-05 -0.176061D-02 -0.236067D-03
     23  0.262741D-02  0.597754D-03 -0.580863D-03  0.252871D-03  0.381633D-04
     24 -0.172650D-01 -0.471823D-03  0.223944D-03  0.247839D-02  0.749255D-03
     25 -0.469240D-02  0.332653D-02 -0.170325D-02 -0.955700D-03  0.411765D-03
     26 -0.966769D-03  0.211847D-02  0.129630D-02  0.507584D-03 -0.164323D-03
     27  0.183683D-02 -0.123467D-02  0.126764D-02  0.595382D-03  0.323041D-03
     28 -0.167983D-01 -0.748996D-02 -0.400084D-03  0.352766D-02 -0.263538D-03
     29 -0.114940D-02  0.785134D-03  0.146759D-02  0.836133D-03 -0.492901D-04
     30  0.670902D-02  0.351484D-02  0.110557D-02  0.516082D-03  0.422028D-04
               11            12            13            14            15 
     11  0.136927D+00
     12 -0.133919D+00  0.254914D+00
     13  0.495808D-03 -0.814634D-03  0.216528D+00
     14  0.712167D-02  0.869025D-02 -0.564753D-01  0.690496D-01
     15 -0.506683D-02 -0.113866D-01 -0.140335D+00  0.350583D-01  0.156294D+00
     16 -0.984815D-03 -0.747039D-03  0.929420D-03  0.886456D-03  0.410794D-03
     17  0.123473D-02  0.172391D-02 -0.826827D-03  0.348063D-03 -0.135112D-02
     18 -0.178809D-03  0.869703D-03 -0.471049D-03 -0.108204D-03  0.494254D-04
     19  0.201972D-03  0.111314D-02 -0.578771D-03 -0.679252D-03 -0.507797D-03
     20  0.159607D-03 -0.991024D-03  0.364351D-02  0.144052D-02  0.290643D-02
     21  0.922941D-03  0.688529D-03 -0.995543D-03  0.906235D-04 -0.759928D-03
     22  0.324974D-03 -0.504243D-03  0.165126D-03  0.145415D-03 -0.171597D-03
     23 -0.159620D-03 -0.148197D-03  0.338510D-04 -0.626311D-04  0.645385D-04
     24 -0.147628D-03  0.602047D-03 -0.148464D-03 -0.306311D-03  0.220988D-03
     25  0.274760D-04  0.194240D-03 -0.124519D-02 -0.580720D-03 -0.107130D-02
     26 -0.126657D-04 -0.982714D-04 -0.220168D-03  0.158106D-03 -0.517973D-04
     27 -0.169722D-03  0.260881D-03  0.378556D-03 -0.155993D-03  0.539021D-03
     28  0.278539D-03 -0.890155D-04 -0.607185D-05  0.215323D-03  0.112600D-03
     29  0.594475D-04  0.275982D-04 -0.167784D-03  0.106842D-03 -0.891889D-04
     30 -0.255962D-03 -0.106093D-04  0.117387D-04 -0.647009D-04 -0.837720D-04
               16            17            18            19            20 
     16  0.622571D-01
     17  0.373646D-02  0.542254D-01
     18 -0.112509D-02 -0.595022D-01  0.326445D+00
     19  0.169861D-02  0.166711D-02 -0.473351D-03  0.500119D+00
     20 -0.572941D-02  0.167721D-02  0.395190D-02 -0.766714D-02  0.554605D+00
     21  0.285766D-01  0.254975D-02 -0.970476D-02  0.329686D-01  0.268549D-03
     22 -0.533181D-02 -0.665199D-03  0.203307D-02 -0.500388D-01  0.593927D-02
     23 -0.440719D-03  0.900727D-03  0.897395D-04  0.587850D-02 -0.577923D-01
     24  0.261602D-02  0.138230D-03  0.554833D-03 -0.237798D-01  0.533873D-01
     25  0.902041D-03 -0.686461D-03  0.863378D-04 -0.113447D+00  0.112982D+00
     26  0.552699D-03  0.216284D-03 -0.513585D-03  0.114135D+00 -0.236827D+00
     27 -0.661125D-03 -0.194128D-03  0.263920D-03 -0.135523D-01  0.242170D-01
     28  0.925528D-03  0.393074D-03  0.871912D-03 -0.114870D+00 -0.980522D-01
     29 -0.219813D-03  0.111342D-03  0.421617D-03 -0.987935D-01 -0.186679D+00
     30 -0.988530D-03 -0.257173D-03 -0.925115D-04 -0.578230D-01 -0.841814D-01
               21            22            23            24            25 
     21  0.563747D+00
     22 -0.278030D-01  0.536781D-01
     23  0.531706D-01 -0.668060D-02  0.576919D-01
     24 -0.297257D+00  0.250954D-01 -0.588635D-01  0.323990D+00
     25 -0.138377D-01 -0.190441D-02  0.198673D-02 -0.439693D-03  0.126032D+00
     26  0.239484D-01  0.207073D-02 -0.500511D-02  0.558536D-03 -0.125785D+00
     27 -0.510743D-01 -0.159971D-01  0.273112D-01 -0.187242D-02  0.128245D-01
     28 -0.570074D-01 -0.190639D-02 -0.111348D-02 -0.934626D-03  0.959803D-02
     29 -0.840423D-01  0.492208D-02  0.588316D-02  0.271078D-02 -0.146543D-01
     30 -0.981485D-01 -0.157506D-01 -0.236531D-01 -0.117314D-01  0.260013D-02
               26            27            28            29            30 
     26  0.255462D+00
     27 -0.260045D-01  0.502147D-01
     28  0.119121D-01  0.811556D-02  0.125870D+00
     29 -0.199837D-01 -0.122900D-01  0.109551D+00  0.201296D+00
     30  0.299490D-02  0.964718D-03  0.635689D-01  0.933849D-01  0.101614D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.461587D+02 -0.233295D+01  0.863535D+00
      2  -0.233295D+01  0.381871D+02 -0.656810D+00
      3   0.863535D+00 -0.656810D+00  0.377989D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.772156D+00  0.766742D+00 -0.579908D+01
      2  -0.398743D+01  0.725852D+00  0.691090D+01
      3   0.348471D+01 -0.608423D+01 -0.143207D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.229315D+02 -0.207868D+00  0.287471D+01
      2  -0.136465D+02  0.463342D+01 -0.666775D+01
      3  -0.928507D+01 -0.442555D+01  0.379304D+01
      4   0.162419D+02  0.708410D+01 -0.108318D+01
      5   0.450020D+01  0.236717D+00  0.129998D+02
      6  -0.173324D+01 -0.435085D+01  0.128589D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.394111D+01  0.128205D+01 -0.401410D+01 -0.240076D+00 -0.112978D+01
      2   0.128205D+01 -0.251574D+00  0.186245D+01 -0.112978D+01  0.523148D+01
      3  -0.401410D+01  0.186245D+01 -0.484455D-01  0.740233D+00  0.207796D+01
                 6             7             8             9            10 
      1   0.740233D+00 -0.585407D+01  0.191689D+01  0.238978D+00  0.670087D+01
      2   0.207796D+01  0.191689D+01  0.245309D+01 -0.225698D+01 -0.981145D+00
      3  -0.227633D+01  0.238978D+00 -0.225698D+01  0.152984D+01  0.315465D+01
                11            12            13            14            15 
      1  -0.981145D+00  0.315465D+01 -0.120889D+01  0.453274D+01  0.479771D+00
      2   0.221667D+01  0.103211D+00  0.453274D+01 -0.143568D+00  0.140167D+01
      3   0.103211D+00  0.986215D-01  0.479771D+00  0.140167D+01  0.140046D+01
                16            17            18            19            20 
      1   0.422278D+01  0.756865D+00  0.814068D+00 -0.405701D+01 -0.373881D+01
      2   0.756865D+00  0.776967D+00  0.159150D+01 -0.373881D+01 -0.777765D+00
      3   0.814068D+00  0.159150D+01 -0.680118D+01 -0.133197D+01 -0.348655D+00
                21            22            23            24            25 
      1  -0.133197D+01 -0.198765D+01 -0.260089D+01 -0.591908D+00 -0.182166D+01
      2  -0.348655D+00 -0.260089D+01 -0.902398D+01 -0.179930D+01 -0.124668D+01
      3   0.394772D-01 -0.591908D+00 -0.179930D+01 -0.775598D+00 -0.132118D+01
                26            27            28            29            30 
      1  -0.124668D+01 -0.132118D+01 -0.136439D+00  0.900335D+00 -0.325532D+00
      2  -0.146328D+01 -0.225474D+01  0.900335D+00 -0.275755D-01 -0.401437D+00
      3  -0.225474D+01 -0.149168D+01 -0.325532D+00 -0.401437D+00  0.230067D+00
                31            32            33            34            35 
      1   0.128889D+01 -0.720652D+00  0.324428D+00 -0.104814D+01  0.291962D+00
      2  -0.720652D+00  0.326833D+01 -0.264263D+01  0.291962D+00 -0.321588D+01
      3   0.324428D+00 -0.264263D+01  0.256385D+01 -0.721694D+00  0.301308D+01
                36            37            38            39            40 
      1  -0.721694D+00 -0.641221D+01  0.215950D+01  0.264777D+01  0.185012D+01
      2   0.301308D+01  0.215950D+01 -0.193029D+01 -0.924638D+00 -0.180642D+01
      3  -0.499791D+01  0.264777D+01 -0.924638D+00 -0.212937D+01 -0.638374D+00
                41            42            43            44            45 
      1  -0.180642D+01 -0.638374D+00  0.395508D+01 -0.126730D+01 -0.236324D+01
      2   0.128428D+01  0.550373D+00 -0.126730D+01  0.852753D+00  0.142921D+01
      3   0.550373D+00  0.916288D+00 -0.236324D+01  0.142921D+01  0.254528D+01
                46            47            48            49            50 
      1   0.733223D+00 -0.112232D+00  0.115062D+01 -0.185370D+00 -0.381489D+00
      2  -0.112232D+00 -0.182520D+00 -0.516343D-01 -0.381489D+00 -0.769587D+00
      3   0.115062D+01 -0.516343D-01  0.165597D+00 -0.513123D-01  0.114606D+01
                51            52            53            54            55 
      1  -0.513123D-01  0.159275D+01 -0.194938D+00  0.425367D+00 -0.156675D+01
      2   0.114606D+01 -0.194938D+00  0.134675D+01 -0.135616D+01  0.762733D+00
      3  -0.145985D+01  0.425367D+00 -0.135616D+01  0.991139D+01 -0.230973D+01
                56            57            58            59            60 
      1   0.762733D+00 -0.230973D+01  0.110752D+01 -0.554121D+01 -0.120572D+01
      2  -0.460339D+01 -0.107872D+01 -0.554121D+01  0.133886D+01 -0.159184D+01
      3  -0.107872D+01  0.392442D+00 -0.120572D+01 -0.159184D+01 -0.230783D+01
                61            62            63            64            65 
      1  -0.245537D+01 -0.118516D+01 -0.327040D+00 -0.134963D+00  0.141127D+00
      2  -0.118516D+01 -0.171739D+01 -0.209870D+01  0.141127D+00  0.352577D+00
      3  -0.327040D+00 -0.209870D+01  0.588819D+01 -0.582578D+00  0.120474D+00
                66            67            68            69            70 
      1  -0.582578D+00  0.391407D+00  0.766009D+00 -0.104122D+00 -0.193850D+01
      2   0.120474D+00  0.766009D+00  0.507546D+00 -0.906319D+00 -0.655232D-01
      3  -0.448768D+00 -0.104122D+00 -0.906319D+00  0.124305D+01  0.109213D+01
                71            72            73            74            75 
      1  -0.655232D-01  0.109213D+01  0.447107D+01 -0.247469D+01  0.349252D+00
      2  -0.135882D+01  0.114826D+01 -0.247469D+01  0.286497D+01 -0.196645D-01
      3   0.114826D+01 -0.769583D+01  0.349252D+00 -0.196645D-01  0.672389D+00
                76            77            78            79            80 
      1  -0.443150D+01  0.376785D+01  0.139040D+00  0.872835D+00 -0.328594D-01
      2   0.376785D+01 -0.553970D+01  0.365894D+00 -0.328594D-01  0.586417D+00
      3   0.139040D+00  0.365894D+00 -0.104228D+01  0.840680D+00 -0.652038D+00
                81            82            83            84            85 
      1   0.840680D+00  0.434332D+01  0.206114D+01  0.126161D+01  0.341554D+01
      2  -0.652038D+00  0.206114D+01  0.233889D+01  0.738606D+00  0.311384D+01
      3  -0.239144D+00  0.126161D+01  0.738606D+00  0.102799D+01  0.907968D+00
                86            87            88            89            90 
      1   0.311384D+01  0.907968D+00  0.247429D+01  0.102675D+01  0.132194D+01
      2   0.384634D+01  0.139814D+01  0.102675D+01  0.173939D+01  0.143658D+01
      3   0.139814D+01  0.173825D+01  0.132194D+01  0.143658D+01  0.135105D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.604476D+01 -0.220607D+01 -0.296456D+00 -0.224886D+01 -0.126438D+01
      2   0.639371D+01 -0.376276D+01  0.199678D+01 -0.205807D+01 -0.178481D+01
      3   0.826897D+00 -0.385212D+01 -0.112686D+01  0.754451D+00  0.327897D+01
                 6             7             8             9            10 
      1   0.191475D+01 -0.294532D+01  0.558433D+01 -0.176118D+01 -0.215878D+01
      2   0.368018D+01 -0.186290D+01  0.412489D+01  0.342828D-01 -0.264735D+01
      3   0.395581D+01 -0.328517D+01  0.452131D+01 -0.231069D+01  0.652168D+00
                11            12            13            14            15 
      1   0.233302D+01  0.741611D-01  0.237769D+01 -0.568482D+00 -0.220009D+01
      2   0.106848D+01 -0.137942D+01  0.171827D+01 -0.209187D+01 -0.702840D+00
      3  -0.174297D+01  0.277688D+00  0.579590D+01  0.973972D+00 -0.950322D-03
                16            17            18            19            20 
      1   0.933623D+00  0.598026D+00  0.180549D+01 -0.183244D+01 -0.685436D+00
      2  -0.861469D+01  0.367481D+00 -0.440341D+01  0.187701D+01  0.126743D+01
      3   0.999816D+00 -0.972748D+00 -0.343291D+00  0.167243D+01 -0.288460D+01
                21            22            23            24            25 
      1  -0.248526D+01 -0.136939D+01  0.238262D+01 -0.776464D+01 -0.129576D+01
      2   0.419728D+01 -0.141903D+01  0.234960D+01  0.261002D+01 -0.279567D+01
      3   0.295098D+00  0.828539D+01 -0.948165D+01 -0.133740D+01  0.264957D+01
                26            27            28            29            30 
      1   0.292411D+01 -0.239080D+01  0.208743D+00  0.426251D+00 -0.240653D+00
      2   0.195913D+01  0.205311D+01  0.101965D+01  0.332558D+00  0.259107D+00
      3  -0.108183D+01 -0.563693D+00  0.127286D+01  0.211333D+00 -0.525513D+00
                31            32            33            34            35 
      1  -0.166947D+00  0.667397D+00 -0.338884D+01  0.392574D+00 -0.376001D+00
      2   0.761803D+00  0.321829D+01 -0.325362D+01 -0.194046D+01 -0.347385D+01
      3   0.190974D+01  0.379377D+01 -0.294097D+01 -0.170983D+01 -0.369547D+01
                36            37            38            39            40 
      1   0.568378D+01 -0.283987D+01 -0.254509D+00  0.269964D+01  0.431592D+00
      2   0.594926D+01 -0.209776D+01  0.110810D+01  0.456698D+01  0.603335D+00
      3   0.358036D+01 -0.310598D+01 -0.281057D+01  0.112917D+01  0.141241D+00
                41            42            43            44            45 
      1  -0.273221D+00 -0.164250D+01  0.246560D+01 -0.325536D+00 -0.299419D+01
      2  -0.905859D+00 -0.185474D+01  0.118061D+01 -0.173301D+01 -0.411950D+01
      3   0.903067D+00  0.335970D+00  0.227788D+01  0.920161D+00 -0.370609D+00
                46            47            48            49            50 
      1   0.121213D+00  0.100220D+00  0.452121D+00 -0.314883D+00 -0.878318D+00
      2  -0.126826D+00 -0.809633D-01  0.183220D+00  0.623417D+00  0.839301D+00
      3   0.610239D-01 -0.888339D+00  0.553906D-01  0.830132D+00 -0.141164D+00
                51            52            53            54            55 
      1   0.492148D+00 -0.271282D-01  0.413028D+01 -0.969127D+00  0.545130D+00
      2  -0.206469D+00 -0.415982D+01 -0.145681D+00  0.254019D+01 -0.451587D+01
      3  -0.332026D+00 -0.607804D+00 -0.361792D+00 -0.192299D+00 -0.841602D+00
                56            57            58            59            60 
      1   0.908508D+00  0.258850D-01  0.178734D+01 -0.188150D+00 -0.973381D+00
      2  -0.163990D+01  0.258467D+01 -0.195203D+01 -0.357259D+01 -0.380769D+01
      3   0.621215D+01  0.176631D+01  0.129587D+02 -0.324031D+01  0.242227D+01
                61            62            63            64            65 
      1  -0.226863D+00  0.258819D+01  0.232141D+00  0.306029D-01  0.224732D+00
      2  -0.410512D+01 -0.359002D+01  0.876395D+01 -0.185617D+01  0.117995D+00
      3   0.133611D+01  0.279997D+01  0.374008D+01 -0.408273D+00 -0.979589D+00
                66            67            68            69            70 
      1  -0.578359D-01  0.926903D-01 -0.330730D+00 -0.871627D+00 -0.209374D+00
      2   0.545526D+00  0.399981D+00 -0.120810D+01  0.242392D+01 -0.167131D+01
      3  -0.261549D+00  0.242074D-01 -0.649657D+00  0.143452D+01 -0.540953D+00
                71            72            73            74            75 
      1   0.272073D+01  0.856960D+00  0.460027D+00 -0.634796D+00  0.812101D+00
      2   0.226921D+01 -0.132333D+02  0.502160D+00 -0.290972D+00  0.263042D+01
      3   0.246791D+01 -0.216094D+01  0.399459D+01 -0.670168D+01  0.132816D-01
                76            77            78            79            80 
      1  -0.616367D+00  0.977273D+00 -0.213879D+01  0.247815D+00  0.701955D+00
      2   0.121960D+00  0.834907D+00 -0.298747D+01  0.373666D+00 -0.913332D+00
      3  -0.442925D+01  0.104863D+02 -0.679114D+00 -0.291676D+00 -0.106593D+01
                81            82            83            84            85 
      1   0.931876D-01 -0.579376D+00 -0.211925D+00 -0.983710D+00 -0.404581D+00
      2  -0.518977D+00  0.188316D+01  0.155195D+01  0.331566D+01  0.120037D+01
      3   0.794424D+00 -0.295825D+01 -0.565851D+01 -0.129512D+01 -0.318805D+01
                86            87            88            89            90 
      1  -0.195942D+00 -0.232727D+01 -0.501036D+00  0.548792D+00 -0.884154D+00
      2   0.232113D+01  0.409871D+01  0.513239D+00  0.230155D+01  0.250267D+01
      3  -0.708967D+01 -0.242637D+01 -0.827940D+00 -0.353159D+01 -0.217334D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204133D+00 -0.237725D+00  0.887954D+01  0.610906D+01  0.945675D+00
      2   0.137063D+01  0.144304D+00 -0.486024D+01 -0.581096D+01  0.369675D+01
      3  -0.157477D+01  0.934216D-01 -0.401930D+01 -0.298109D+00 -0.464243D+01
      4   0.143604D+01 -0.543519D+00 -0.836353D+01 -0.167198D+01 -0.675057D+01
      5   0.150165D+02 -0.630185D+01 -0.218755D+01 -0.330653D+01 -0.167936D+01
      6  -0.657203D+01  0.313555D+01  0.323115D+01  0.337880D+01  0.760156D+01
                 6             7             8             9            10 
      1  -0.869790D+01  0.121283D+02 -0.903751D+01  0.211518D+01 -0.929315D+01
      2   0.548585D+01 -0.588460D+01  0.653686D+01 -0.212898D+01  0.196239D+01
      3   0.321205D+01 -0.624367D+01  0.250064D+01  0.137988D-01  0.733076D+01
      4   0.156907D+00 -0.754115D+01 -0.150150D+01  0.515248D+01  0.399156D+00
      5   0.947847D+01 -0.267852D+01  0.533859D+01  0.730612D+00  0.407207D+00
      6  -0.102597D+02  0.259764D+01 -0.711985D+01  0.512496D+01  0.890924D+00
                11            12            13            14            15 
      1  -0.115725D+01  0.352595D+01 -0.602251D+00 -0.168872D+01  0.282672D+00
      2   0.674722D+00 -0.148409D+00 -0.333341D+00  0.202580D+01 -0.124049D+01
      3   0.482524D+00 -0.337754D+01  0.935592D+00 -0.337082D+00  0.957819D+00
      4  -0.558800D+01  0.154580D+01 -0.471973D+00 -0.225072D+01 -0.109870D+01
      5   0.815716D+00 -0.665842D+01  0.101097D+01 -0.705963D+00 -0.794138D+00
      6   0.315413D+00  0.193122D+00  0.146085D+01 -0.196983D+00  0.261714D+01
                16            17            18            19            20 
      1   0.147766D+00 -0.244758D+01  0.120419D+02  0.649501D+01  0.539798D+01
      2  -0.104349D+01  0.229739D+00  0.626379D+01 -0.253662D+00 -0.177003D+01
      3   0.895729D+00  0.221784D+01 -0.183057D+02 -0.624135D+01 -0.362795D+01
      4   0.782535D+00 -0.152671D+01  0.173246D+01  0.105670D+02  0.126505D+02
      5   0.440806D+00  0.725698D+00 -0.536904D+01  0.217383D+01  0.263374D+01
      6   0.536382D+00 -0.157529D+00  0.427870D+01  0.290137D+01  0.925166D+00
                21            22            23            24            25 
      1  -0.127624D+01  0.172624D+01 -0.106277D+02 -0.184192D+01  0.779929D+00
      2  -0.187521D+01  0.210222D+01  0.184267D+02 -0.140393D+01 -0.345208D+00
      3   0.315145D+01 -0.382846D+01 -0.779899D+01  0.324586D+01 -0.434721D+00
      4   0.304081D+01  0.133641D+02  0.184803D+02  0.154605D+01  0.317248D+01
      5   0.825852D+01  0.318645D+01  0.860805D+00  0.181871D+01  0.574924D+01
      6   0.119174D+01 -0.127624D+01  0.306011D+01  0.113918D+02  0.242215D+01
                26            27            28            29            30 
      1  -0.153958D+01 -0.620227D+01  0.702147D+00 -0.265633D+01  0.122456D+01
      2   0.335791D+00 -0.719130D+00 -0.175783D+00  0.160205D+01 -0.355391D+00
      3   0.120379D+01  0.692140D+01 -0.526364D+00  0.105429D+01 -0.869164D+00
      4   0.383684D+01  0.504265D+01 -0.192925D+01  0.348861D+01 -0.135886D+01
      5   0.468161D+01  0.477707D+01 -0.171562D+00 -0.901895D+00  0.340790D+01
      6   0.891972D+01  0.561564D+01 -0.190561D+01 -0.104703D+01  0.817240D-01
                31            32            33            34            35 
      1  -0.193048D+01 -0.807436D+01  0.624704D+01  0.750457D+00  0.788690D+01
      2   0.795046D+00  0.982429D+01 -0.511732D+01 -0.701585D+00 -0.588832D+01
      3   0.113543D+01 -0.174994D+01 -0.112973D+01 -0.488725D-01 -0.199858D+01
      4   0.511628D+01 -0.592140D+01  0.443869D+01 -0.323007D+01  0.555534D+01
      5  -0.228817D+01  0.526715D+01 -0.580989D+01  0.510616D+01 -0.625932D+01
      6   0.109575D+01 -0.110935D+02  0.106290D+02 -0.207534D+01  0.120806D+02
                36            37            38            39            40 
      1  -0.970815D+01  0.243388D+02 -0.482731D+01 -0.756148D+01 -0.425437D+01
      2   0.348494D+00 -0.119586D+02  0.220098D+00  0.500547D+01 -0.160512D+00
      3   0.935965D+01 -0.123802D+02  0.460721D+01  0.255601D+01  0.441488D+01
      4  -0.509611D+01 -0.149403D+02  0.104426D+02  0.580682D+01  0.988902D+01
      5   0.107321D+02 -0.137113D+02  0.459410D+01  0.106867D+02  0.307869D+01
      6  -0.148210D+02  0.623956D+01 -0.331613D+01 -0.497164D+01 -0.324292D+01
                41            42            43            44            45 
      1   0.285198D+01  0.875205D+00 -0.105752D+02  0.234753D+01  0.315719D+01
      2   0.994526D+00  0.414952D+00  0.689629D+01 -0.631328D+00 -0.496814D+01
      3  -0.384651D+01 -0.129016D+01  0.367887D+01 -0.171620D+01  0.181095D+01
      4  -0.668715D+01 -0.376169D+01  0.784546D+01 -0.518445D+01 -0.622055D+01
      5  -0.344142D+01 -0.350057D+01  0.123216D+02 -0.547020D+01 -0.111695D+02
      6   0.275048D+01  0.459947D+01 -0.532887D+01  0.540945D+01  0.525527D+01
                46            47            48            49            50 
      1   0.476962D+00 -0.123016D+00  0.253708D+00 -0.648967D-01 -0.410663D+01
      2  -0.302316D+01  0.300420D-01 -0.191657D+00  0.252536D+00  0.570653D+00
      3   0.254620D+01  0.929736D-01 -0.620513D-01 -0.187639D+00  0.353598D+01
      4  -0.177106D+00  0.219824D+01 -0.775985D+00  0.150456D+01 -0.335222D+00
      5   0.831630D+00 -0.956745D+00  0.739104D+01 -0.105617D+01  0.102282D+01
      6  -0.951461D+00 -0.653589D-01  0.976342D-01 -0.687182D-01 -0.279543D+01
                51            52            53            54            55 
      1   0.372857D+01 -0.387662D+00  0.337676D+01 -0.227869D+02  0.259097D+01
      2   0.430143D+00 -0.128501D+01  0.266082D+00 -0.134803D+02 -0.471260D+01
      3  -0.415871D+01  0.167267D+01 -0.364284D+01  0.362672D+02  0.212163D+01
      4   0.630180D+00 -0.389364D+00  0.436865D+00 -0.727077D+00  0.257737D+01
      5  -0.747327D+00  0.568236D+01 -0.666205D+00  0.376142D+01 -0.992040D+01
      6   0.700099D+01 -0.707871D+00  0.667175D+01 -0.576572D+01 -0.255298D+01
                56            57            58            59            60 
      1   0.211781D+01 -0.704481D+01  0.231937D+01 -0.140540D+02 -0.359641D+01
      2   0.666704D-01  0.294298D+01  0.137282D-01  0.230428D+01  0.104268D+00
      3  -0.218448D+01  0.410184D+01 -0.233310D+01  0.117497D+02  0.349214D+01
      4  -0.171143D+02 -0.434679D+01 -0.232970D+02  0.512146D+01 -0.702050D+01
      5  -0.413941D+01  0.138817D+01 -0.534493D+01 -0.657207D+01 -0.682558D+01
      6  -0.155525D+01 -0.629207D+00 -0.169410D+01 -0.290300D+01 -0.178287D+01
                61            62            63            64            65 
      1  -0.888692D+01 -0.423786D+01  0.624963D+01 -0.133180D+00  0.453112D+00
      2   0.225096D+01 -0.434424D+00  0.178663D+01 -0.145735D+01 -0.444432D+00
      3   0.663596D+01  0.467228D+01 -0.803627D+01  0.159053D+01 -0.868055D-02
      4  -0.551832D+01 -0.714987D+01 -0.727351D+01  0.893618D-01  0.266649D+01
      5  -0.767128D+00 -0.685581D+01  0.131400D+02 -0.111522D+01 -0.377550D+00
      6  -0.154269D+01 -0.119320D+01  0.226901D+01 -0.734177D+00  0.666132D+00
                66            67            68            69            70 
      1  -0.290545D+01  0.895045D+00 -0.798768D+00  0.212963D+01 -0.453222D+01
      2   0.121337D+01 -0.736526D+00  0.693060D+00 -0.296307D-01  0.397293D+01
      3   0.169208D+01 -0.158519D+00  0.105708D+00 -0.210000D+01  0.559293D+00
      4  -0.563442D+00  0.423126D+01  0.132101D+01 -0.233434D+01 -0.121488D+01
      5   0.435892D+01 -0.812417D+00 -0.203456D+01  0.393244D+01  0.738088D+01
      6   0.243167D+00 -0.269517D+00 -0.198163D+01  0.544403D+01  0.797009D+00
                71            72            73            74            75 
      1   0.243485D+01 -0.114223D+02  0.186127D+02 -0.959704D+01  0.123529D+01
      2  -0.275856D+00 -0.925429D+01 -0.634548D+01  0.251447D+01 -0.338241D+00
      3  -0.215899D+01  0.206766D+02 -0.122672D+02  0.708258D+01 -0.897050D+00
      4  -0.425875D+01  0.408115D+01 -0.136345D+02  0.156436D+02 -0.166104D+00
      5   0.353610D+01 -0.224199D+02  0.920938D+00  0.332356D-01  0.463525D+01
      6   0.532373D+01 -0.537768D+01  0.427293D+00 -0.248279D+00 -0.105950D+01
                76            77            78            79            80 
      1  -0.135569D+02  0.589717D+01 -0.125811D+00  0.247806D+01  0.546042D+00
      2   0.277079D+01  0.639628D+01 -0.270688D+00 -0.825884D+00 -0.497287D+00
      3   0.107861D+02 -0.122935D+02  0.396499D+00 -0.165218D+01 -0.487555D-01
      4   0.196246D+02 -0.236088D+02  0.183535D+01 -0.273527D+00  0.216537D+01
      5   0.476050D+00  0.148582D+01 -0.516625D+01  0.518304D+01 -0.348846D+01
      6  -0.611923D+00  0.874555D+00  0.366217D+01 -0.179335D+01  0.380113D+01
                81            82            83            84            85 
      1   0.526807D+00  0.175507D+02  0.751917D+01  0.482032D+01  0.109144D+02
      2  -0.834017D+00 -0.617892D+01 -0.148258D+01 -0.196836D+01 -0.200359D+01
      3   0.307209D+00 -0.113718D+02 -0.603658D+01 -0.285196D+01 -0.891084D+01
      4  -0.297196D+01  0.132792D+02  0.143429D+02  0.452447D+01  0.178698D+02
      5  -0.181132D+00  0.643188D+01  0.394384D+01  0.651831D+01  0.505605D+01
      6  -0.118587D+01  0.225712D+01  0.118978D+01  0.162182D+01  0.209154D+01
                86            87            88            89            90 
      1   0.419724D+01  0.143679D+01  0.752180D+01  0.110833D+01  0.829546D+00
      2   0.598381D+01  0.751105D+00 -0.361010D+01  0.796612D+00 -0.221328D+01
      3  -0.101810D+02 -0.218790D+01 -0.391170D+01 -0.190494D+01  0.138373D+01
      4   0.182982D+02  0.647159D+01  0.636684D+01  0.762687D+01  0.628046D+01
      5   0.579678D+01  0.761414D+01  0.774034D+01  0.612505D+01  0.686182D+01
      6   0.402701D+01  0.449690D+01  0.276199D+01  0.445129D+01  0.394990D+01
 Leave Link  716 at Thu Jul 22 20:14:52 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.461587D+02 -0.233295D+01  0.863535D+00
      2  -0.233295D+01  0.381871D+02 -0.656810D+00
      3   0.863535D+00 -0.656810D+00  0.377989D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.772156D+00  0.766742D+00 -0.579908D+01
      2  -0.398743D+01  0.725852D+00  0.691090D+01
      3   0.348471D+01 -0.608423D+01 -0.143207D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.229315D+02 -0.207868D+00  0.287471D+01
      2  -0.136465D+02  0.463342D+01 -0.666775D+01
      3  -0.928507D+01 -0.442555D+01  0.379304D+01
      4   0.162419D+02  0.708410D+01 -0.108318D+01
      5   0.450020D+01  0.236717D+00  0.129998D+02
      6  -0.173324D+01 -0.435085D+01  0.128589D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.394111D+01  0.128205D+01 -0.401410D+01 -0.240076D+00 -0.112978D+01
      2   0.128205D+01 -0.251574D+00  0.186245D+01 -0.112978D+01  0.523148D+01
      3  -0.401410D+01  0.186245D+01 -0.484455D-01  0.740233D+00  0.207796D+01
                 6             7             8             9            10 
      1   0.740233D+00 -0.585407D+01  0.191689D+01  0.238978D+00  0.670087D+01
      2   0.207796D+01  0.191689D+01  0.245309D+01 -0.225698D+01 -0.981145D+00
      3  -0.227633D+01  0.238978D+00 -0.225698D+01  0.152984D+01  0.315465D+01
                11            12            13            14            15 
      1  -0.981145D+00  0.315465D+01 -0.120889D+01  0.453274D+01  0.479771D+00
      2   0.221667D+01  0.103211D+00  0.453274D+01 -0.143568D+00  0.140167D+01
      3   0.103211D+00  0.986215D-01  0.479771D+00  0.140167D+01  0.140046D+01
                16            17            18            19            20 
      1   0.422278D+01  0.756865D+00  0.814068D+00 -0.405701D+01 -0.373881D+01
      2   0.756865D+00  0.776967D+00  0.159150D+01 -0.373881D+01 -0.777765D+00
      3   0.814068D+00  0.159150D+01 -0.680118D+01 -0.133197D+01 -0.348655D+00
                21            22            23            24            25 
      1  -0.133197D+01 -0.198765D+01 -0.260089D+01 -0.591908D+00 -0.182166D+01
      2  -0.348655D+00 -0.260089D+01 -0.902398D+01 -0.179930D+01 -0.124668D+01
      3   0.394772D-01 -0.591908D+00 -0.179930D+01 -0.775598D+00 -0.132118D+01
                26            27            28            29            30 
      1  -0.124668D+01 -0.132118D+01 -0.136439D+00  0.900335D+00 -0.325532D+00
      2  -0.146328D+01 -0.225474D+01  0.900335D+00 -0.275755D-01 -0.401437D+00
      3  -0.225474D+01 -0.149168D+01 -0.325532D+00 -0.401437D+00  0.230067D+00
                31            32            33            34            35 
      1   0.128889D+01 -0.720652D+00  0.324428D+00 -0.104814D+01  0.291962D+00
      2  -0.720652D+00  0.326833D+01 -0.264263D+01  0.291962D+00 -0.321588D+01
      3   0.324428D+00 -0.264263D+01  0.256385D+01 -0.721694D+00  0.301308D+01
                36            37            38            39            40 
      1  -0.721694D+00 -0.641221D+01  0.215950D+01  0.264777D+01  0.185012D+01
      2   0.301308D+01  0.215950D+01 -0.193029D+01 -0.924638D+00 -0.180642D+01
      3  -0.499791D+01  0.264777D+01 -0.924638D+00 -0.212937D+01 -0.638374D+00
                41            42            43            44            45 
      1  -0.180642D+01 -0.638374D+00  0.395508D+01 -0.126730D+01 -0.236324D+01
      2   0.128428D+01  0.550373D+00 -0.126730D+01  0.852753D+00  0.142921D+01
      3   0.550373D+00  0.916288D+00 -0.236324D+01  0.142921D+01  0.254528D+01
                46            47            48            49            50 
      1   0.733223D+00 -0.112232D+00  0.115062D+01 -0.185370D+00 -0.381489D+00
      2  -0.112232D+00 -0.182520D+00 -0.516343D-01 -0.381489D+00 -0.769587D+00
      3   0.115062D+01 -0.516343D-01  0.165597D+00 -0.513123D-01  0.114606D+01
                51            52            53            54            55 
      1  -0.513123D-01  0.159275D+01 -0.194938D+00  0.425367D+00 -0.156675D+01
      2   0.114606D+01 -0.194938D+00  0.134675D+01 -0.135616D+01  0.762733D+00
      3  -0.145985D+01  0.425367D+00 -0.135616D+01  0.991139D+01 -0.230973D+01
                56            57            58            59            60 
      1   0.762733D+00 -0.230973D+01  0.110752D+01 -0.554121D+01 -0.120572D+01
      2  -0.460339D+01 -0.107872D+01 -0.554121D+01  0.133886D+01 -0.159184D+01
      3  -0.107872D+01  0.392442D+00 -0.120572D+01 -0.159184D+01 -0.230783D+01
                61            62            63            64            65 
      1  -0.245537D+01 -0.118516D+01 -0.327040D+00 -0.134963D+00  0.141127D+00
      2  -0.118516D+01 -0.171739D+01 -0.209870D+01  0.141127D+00  0.352577D+00
      3  -0.327040D+00 -0.209870D+01  0.588819D+01 -0.582578D+00  0.120474D+00
                66            67            68            69            70 
      1  -0.582578D+00  0.391407D+00  0.766009D+00 -0.104122D+00 -0.193850D+01
      2   0.120474D+00  0.766009D+00  0.507546D+00 -0.906319D+00 -0.655232D-01
      3  -0.448768D+00 -0.104122D+00 -0.906319D+00  0.124305D+01  0.109213D+01
                71            72            73            74            75 
      1  -0.655232D-01  0.109213D+01  0.447107D+01 -0.247469D+01  0.349252D+00
      2  -0.135882D+01  0.114826D+01 -0.247469D+01  0.286497D+01 -0.196645D-01
      3   0.114826D+01 -0.769583D+01  0.349252D+00 -0.196645D-01  0.672389D+00
                76            77            78            79            80 
      1  -0.443150D+01  0.376785D+01  0.139040D+00  0.872835D+00 -0.328594D-01
      2   0.376785D+01 -0.553970D+01  0.365894D+00 -0.328594D-01  0.586417D+00
      3   0.139040D+00  0.365894D+00 -0.104228D+01  0.840680D+00 -0.652038D+00
                81            82            83            84            85 
      1   0.840680D+00  0.434332D+01  0.206114D+01  0.126161D+01  0.341554D+01
      2  -0.652038D+00  0.206114D+01  0.233889D+01  0.738606D+00  0.311384D+01
      3  -0.239144D+00  0.126161D+01  0.738606D+00  0.102799D+01  0.907968D+00
                86            87            88            89            90 
      1   0.311384D+01  0.907968D+00  0.247429D+01  0.102675D+01  0.132194D+01
      2   0.384634D+01  0.139814D+01  0.102675D+01  0.173939D+01  0.143658D+01
      3   0.139814D+01  0.173825D+01  0.132194D+01  0.143658D+01  0.135105D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.604476D+01 -0.220607D+01 -0.296456D+00 -0.224886D+01 -0.126438D+01
      2   0.639371D+01 -0.376276D+01  0.199678D+01 -0.205807D+01 -0.178481D+01
      3   0.826897D+00 -0.385212D+01 -0.112686D+01  0.754451D+00  0.327897D+01
                 6             7             8             9            10 
      1   0.191475D+01 -0.294532D+01  0.558433D+01 -0.176118D+01 -0.215878D+01
      2   0.368018D+01 -0.186290D+01  0.412489D+01  0.342828D-01 -0.264735D+01
      3   0.395581D+01 -0.328517D+01  0.452131D+01 -0.231069D+01  0.652168D+00
                11            12            13            14            15 
      1   0.233302D+01  0.741611D-01  0.237769D+01 -0.568482D+00 -0.220009D+01
      2   0.106848D+01 -0.137942D+01  0.171827D+01 -0.209187D+01 -0.702840D+00
      3  -0.174297D+01  0.277688D+00  0.579590D+01  0.973972D+00 -0.950322D-03
                16            17            18            19            20 
      1   0.933623D+00  0.598026D+00  0.180549D+01 -0.183244D+01 -0.685436D+00
      2  -0.861469D+01  0.367481D+00 -0.440341D+01  0.187701D+01  0.126743D+01
      3   0.999816D+00 -0.972748D+00 -0.343291D+00  0.167243D+01 -0.288460D+01
                21            22            23            24            25 
      1  -0.248526D+01 -0.136939D+01  0.238262D+01 -0.776464D+01 -0.129576D+01
      2   0.419728D+01 -0.141903D+01  0.234960D+01  0.261002D+01 -0.279567D+01
      3   0.295098D+00  0.828539D+01 -0.948165D+01 -0.133740D+01  0.264957D+01
                26            27            28            29            30 
      1   0.292411D+01 -0.239080D+01  0.208743D+00  0.426251D+00 -0.240653D+00
      2   0.195913D+01  0.205311D+01  0.101965D+01  0.332558D+00  0.259107D+00
      3  -0.108183D+01 -0.563693D+00  0.127286D+01  0.211333D+00 -0.525513D+00
                31            32            33            34            35 
      1  -0.166947D+00  0.667397D+00 -0.338884D+01  0.392574D+00 -0.376001D+00
      2   0.761803D+00  0.321829D+01 -0.325362D+01 -0.194046D+01 -0.347385D+01
      3   0.190974D+01  0.379377D+01 -0.294097D+01 -0.170983D+01 -0.369547D+01
                36            37            38            39            40 
      1   0.568378D+01 -0.283987D+01 -0.254509D+00  0.269964D+01  0.431592D+00
      2   0.594926D+01 -0.209776D+01  0.110810D+01  0.456698D+01  0.603335D+00
      3   0.358036D+01 -0.310598D+01 -0.281057D+01  0.112917D+01  0.141241D+00
                41            42            43            44            45 
      1  -0.273221D+00 -0.164250D+01  0.246560D+01 -0.325536D+00 -0.299419D+01
      2  -0.905859D+00 -0.185474D+01  0.118061D+01 -0.173301D+01 -0.411950D+01
      3   0.903067D+00  0.335970D+00  0.227788D+01  0.920161D+00 -0.370609D+00
                46            47            48            49            50 
      1   0.121213D+00  0.100220D+00  0.452121D+00 -0.314883D+00 -0.878318D+00
      2  -0.126826D+00 -0.809633D-01  0.183220D+00  0.623417D+00  0.839301D+00
      3   0.610239D-01 -0.888339D+00  0.553906D-01  0.830132D+00 -0.141164D+00
                51            52            53            54            55 
      1   0.492148D+00 -0.271282D-01  0.413028D+01 -0.969127D+00  0.545130D+00
      2  -0.206469D+00 -0.415982D+01 -0.145681D+00  0.254019D+01 -0.451587D+01
      3  -0.332026D+00 -0.607804D+00 -0.361792D+00 -0.192299D+00 -0.841602D+00
                56            57            58            59            60 
      1   0.908508D+00  0.258850D-01  0.178734D+01 -0.188150D+00 -0.973381D+00
      2  -0.163990D+01  0.258467D+01 -0.195203D+01 -0.357259D+01 -0.380769D+01
      3   0.621215D+01  0.176631D+01  0.129587D+02 -0.324031D+01  0.242227D+01
                61            62            63            64            65 
      1  -0.226863D+00  0.258819D+01  0.232141D+00  0.306029D-01  0.224732D+00
      2  -0.410512D+01 -0.359002D+01  0.876395D+01 -0.185617D+01  0.117995D+00
      3   0.133611D+01  0.279997D+01  0.374008D+01 -0.408273D+00 -0.979589D+00
                66            67            68            69            70 
      1  -0.578359D-01  0.926903D-01 -0.330730D+00 -0.871627D+00 -0.209374D+00
      2   0.545526D+00  0.399981D+00 -0.120810D+01  0.242392D+01 -0.167131D+01
      3  -0.261549D+00  0.242074D-01 -0.649657D+00  0.143452D+01 -0.540953D+00
                71            72            73            74            75 
      1   0.272073D+01  0.856960D+00  0.460027D+00 -0.634796D+00  0.812101D+00
      2   0.226921D+01 -0.132333D+02  0.502160D+00 -0.290972D+00  0.263042D+01
      3   0.246791D+01 -0.216094D+01  0.399459D+01 -0.670168D+01  0.132816D-01
                76            77            78            79            80 
      1  -0.616367D+00  0.977273D+00 -0.213879D+01  0.247815D+00  0.701955D+00
      2   0.121960D+00  0.834907D+00 -0.298747D+01  0.373666D+00 -0.913332D+00
      3  -0.442925D+01  0.104863D+02 -0.679114D+00 -0.291676D+00 -0.106593D+01
                81            82            83            84            85 
      1   0.931876D-01 -0.579376D+00 -0.211925D+00 -0.983710D+00 -0.404581D+00
      2  -0.518977D+00  0.188316D+01  0.155195D+01  0.331566D+01  0.120037D+01
      3   0.794424D+00 -0.295825D+01 -0.565851D+01 -0.129512D+01 -0.318805D+01
                86            87            88            89            90 
      1  -0.195942D+00 -0.232727D+01 -0.501036D+00  0.548792D+00 -0.884154D+00
      2   0.232113D+01  0.409871D+01  0.513239D+00  0.230155D+01  0.250267D+01
      3  -0.708967D+01 -0.242637D+01 -0.827940D+00 -0.353159D+01 -0.217334D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204133D+00 -0.237725D+00  0.887954D+01  0.610906D+01  0.945675D+00
      2   0.137063D+01  0.144304D+00 -0.486024D+01 -0.581096D+01  0.369675D+01
      3  -0.157477D+01  0.934216D-01 -0.401930D+01 -0.298109D+00 -0.464243D+01
      4   0.143604D+01 -0.543519D+00 -0.836353D+01 -0.167198D+01 -0.675057D+01
      5   0.150165D+02 -0.630185D+01 -0.218755D+01 -0.330653D+01 -0.167936D+01
      6  -0.657203D+01  0.313555D+01  0.323115D+01  0.337880D+01  0.760156D+01
                 6             7             8             9            10 
      1  -0.869790D+01  0.121283D+02 -0.903751D+01  0.211518D+01 -0.929315D+01
      2   0.548585D+01 -0.588460D+01  0.653686D+01 -0.212898D+01  0.196239D+01
      3   0.321205D+01 -0.624367D+01  0.250064D+01  0.137988D-01  0.733076D+01
      4   0.156907D+00 -0.754115D+01 -0.150150D+01  0.515248D+01  0.399156D+00
      5   0.947847D+01 -0.267852D+01  0.533859D+01  0.730612D+00  0.407207D+00
      6  -0.102597D+02  0.259764D+01 -0.711985D+01  0.512496D+01  0.890924D+00
                11            12            13            14            15 
      1  -0.115725D+01  0.352595D+01 -0.602251D+00 -0.168872D+01  0.282672D+00
      2   0.674722D+00 -0.148409D+00 -0.333341D+00  0.202580D+01 -0.124049D+01
      3   0.482524D+00 -0.337754D+01  0.935592D+00 -0.337082D+00  0.957819D+00
      4  -0.558800D+01  0.154580D+01 -0.471973D+00 -0.225072D+01 -0.109870D+01
      5   0.815716D+00 -0.665842D+01  0.101097D+01 -0.705963D+00 -0.794138D+00
      6   0.315413D+00  0.193122D+00  0.146085D+01 -0.196983D+00  0.261714D+01
                16            17            18            19            20 
      1   0.147766D+00 -0.244758D+01  0.120419D+02  0.649501D+01  0.539798D+01
      2  -0.104349D+01  0.229739D+00  0.626379D+01 -0.253662D+00 -0.177003D+01
      3   0.895729D+00  0.221784D+01 -0.183057D+02 -0.624135D+01 -0.362795D+01
      4   0.782535D+00 -0.152671D+01  0.173246D+01  0.105670D+02  0.126505D+02
      5   0.440806D+00  0.725698D+00 -0.536904D+01  0.217383D+01  0.263374D+01
      6   0.536382D+00 -0.157529D+00  0.427870D+01  0.290137D+01  0.925166D+00
                21            22            23            24            25 
      1  -0.127624D+01  0.172624D+01 -0.106277D+02 -0.184192D+01  0.779929D+00
      2  -0.187521D+01  0.210222D+01  0.184267D+02 -0.140393D+01 -0.345208D+00
      3   0.315145D+01 -0.382846D+01 -0.779899D+01  0.324586D+01 -0.434721D+00
      4   0.304081D+01  0.133641D+02  0.184803D+02  0.154605D+01  0.317248D+01
      5   0.825852D+01  0.318645D+01  0.860805D+00  0.181871D+01  0.574924D+01
      6   0.119174D+01 -0.127624D+01  0.306011D+01  0.113918D+02  0.242215D+01
                26            27            28            29            30 
      1  -0.153958D+01 -0.620227D+01  0.702147D+00 -0.265633D+01  0.122456D+01
      2   0.335791D+00 -0.719130D+00 -0.175783D+00  0.160205D+01 -0.355391D+00
      3   0.120379D+01  0.692140D+01 -0.526364D+00  0.105429D+01 -0.869164D+00
      4   0.383684D+01  0.504265D+01 -0.192925D+01  0.348861D+01 -0.135886D+01
      5   0.468161D+01  0.477707D+01 -0.171562D+00 -0.901895D+00  0.340790D+01
      6   0.891972D+01  0.561564D+01 -0.190561D+01 -0.104703D+01  0.817240D-01
                31            32            33            34            35 
      1  -0.193048D+01 -0.807436D+01  0.624704D+01  0.750457D+00  0.788690D+01
      2   0.795046D+00  0.982429D+01 -0.511732D+01 -0.701585D+00 -0.588832D+01
      3   0.113543D+01 -0.174994D+01 -0.112973D+01 -0.488725D-01 -0.199858D+01
      4   0.511628D+01 -0.592140D+01  0.443869D+01 -0.323007D+01  0.555534D+01
      5  -0.228817D+01  0.526715D+01 -0.580989D+01  0.510616D+01 -0.625932D+01
      6   0.109575D+01 -0.110935D+02  0.106290D+02 -0.207534D+01  0.120806D+02
                36            37            38            39            40 
      1  -0.970815D+01  0.243388D+02 -0.482731D+01 -0.756148D+01 -0.425437D+01
      2   0.348494D+00 -0.119586D+02  0.220098D+00  0.500547D+01 -0.160512D+00
      3   0.935965D+01 -0.123802D+02  0.460721D+01  0.255601D+01  0.441488D+01
      4  -0.509611D+01 -0.149403D+02  0.104426D+02  0.580682D+01  0.988902D+01
      5   0.107321D+02 -0.137113D+02  0.459410D+01  0.106867D+02  0.307869D+01
      6  -0.148210D+02  0.623956D+01 -0.331613D+01 -0.497164D+01 -0.324292D+01
                41            42            43            44            45 
      1   0.285198D+01  0.875205D+00 -0.105752D+02  0.234753D+01  0.315719D+01
      2   0.994526D+00  0.414952D+00  0.689629D+01 -0.631328D+00 -0.496814D+01
      3  -0.384651D+01 -0.129016D+01  0.367887D+01 -0.171620D+01  0.181095D+01
      4  -0.668715D+01 -0.376169D+01  0.784546D+01 -0.518445D+01 -0.622055D+01
      5  -0.344142D+01 -0.350057D+01  0.123216D+02 -0.547020D+01 -0.111695D+02
      6   0.275048D+01  0.459947D+01 -0.532887D+01  0.540945D+01  0.525527D+01
                46            47            48            49            50 
      1   0.476962D+00 -0.123016D+00  0.253708D+00 -0.648967D-01 -0.410663D+01
      2  -0.302316D+01  0.300420D-01 -0.191657D+00  0.252536D+00  0.570653D+00
      3   0.254620D+01  0.929736D-01 -0.620513D-01 -0.187639D+00  0.353598D+01
      4  -0.177106D+00  0.219824D+01 -0.775985D+00  0.150456D+01 -0.335222D+00
      5   0.831630D+00 -0.956745D+00  0.739104D+01 -0.105617D+01  0.102282D+01
      6  -0.951461D+00 -0.653589D-01  0.976342D-01 -0.687182D-01 -0.279543D+01
                51            52            53            54            55 
      1   0.372857D+01 -0.387662D+00  0.337676D+01 -0.227869D+02  0.259097D+01
      2   0.430143D+00 -0.128501D+01  0.266082D+00 -0.134803D+02 -0.471260D+01
      3  -0.415871D+01  0.167267D+01 -0.364284D+01  0.362672D+02  0.212163D+01
      4   0.630180D+00 -0.389364D+00  0.436865D+00 -0.727077D+00  0.257737D+01
      5  -0.747327D+00  0.568236D+01 -0.666205D+00  0.376142D+01 -0.992040D+01
      6   0.700099D+01 -0.707871D+00  0.667175D+01 -0.576572D+01 -0.255298D+01
                56            57            58            59            60 
      1   0.211781D+01 -0.704481D+01  0.231937D+01 -0.140540D+02 -0.359641D+01
      2   0.666704D-01  0.294298D+01  0.137282D-01  0.230428D+01  0.104268D+00
      3  -0.218448D+01  0.410184D+01 -0.233310D+01  0.117497D+02  0.349214D+01
      4  -0.171143D+02 -0.434679D+01 -0.232970D+02  0.512146D+01 -0.702050D+01
      5  -0.413941D+01  0.138817D+01 -0.534493D+01 -0.657207D+01 -0.682558D+01
      6  -0.155525D+01 -0.629207D+00 -0.169410D+01 -0.290300D+01 -0.178287D+01
                61            62            63            64            65 
      1  -0.888692D+01 -0.423786D+01  0.624963D+01 -0.133180D+00  0.453112D+00
      2   0.225096D+01 -0.434424D+00  0.178663D+01 -0.145735D+01 -0.444432D+00
      3   0.663596D+01  0.467228D+01 -0.803627D+01  0.159053D+01 -0.868055D-02
      4  -0.551832D+01 -0.714987D+01 -0.727351D+01  0.893618D-01  0.266649D+01
      5  -0.767128D+00 -0.685581D+01  0.131400D+02 -0.111522D+01 -0.377550D+00
      6  -0.154269D+01 -0.119320D+01  0.226901D+01 -0.734177D+00  0.666132D+00
                66            67            68            69            70 
      1  -0.290545D+01  0.895045D+00 -0.798768D+00  0.212963D+01 -0.453222D+01
      2   0.121337D+01 -0.736526D+00  0.693060D+00 -0.296307D-01  0.397293D+01
      3   0.169208D+01 -0.158519D+00  0.105708D+00 -0.210000D+01  0.559293D+00
      4  -0.563442D+00  0.423126D+01  0.132101D+01 -0.233434D+01 -0.121488D+01
      5   0.435892D+01 -0.812417D+00 -0.203456D+01  0.393244D+01  0.738088D+01
      6   0.243167D+00 -0.269517D+00 -0.198163D+01  0.544403D+01  0.797009D+00
                71            72            73            74            75 
      1   0.243485D+01 -0.114223D+02  0.186127D+02 -0.959704D+01  0.123529D+01
      2  -0.275856D+00 -0.925429D+01 -0.634548D+01  0.251447D+01 -0.338241D+00
      3  -0.215899D+01  0.206766D+02 -0.122672D+02  0.708258D+01 -0.897050D+00
      4  -0.425875D+01  0.408115D+01 -0.136345D+02  0.156436D+02 -0.166104D+00
      5   0.353610D+01 -0.224199D+02  0.920938D+00  0.332356D-01  0.463525D+01
      6   0.532373D+01 -0.537768D+01  0.427293D+00 -0.248279D+00 -0.105950D+01
                76            77            78            79            80 
      1  -0.135569D+02  0.589717D+01 -0.125811D+00  0.247806D+01  0.546042D+00
      2   0.277079D+01  0.639628D+01 -0.270688D+00 -0.825884D+00 -0.497287D+00
      3   0.107861D+02 -0.122935D+02  0.396499D+00 -0.165218D+01 -0.487555D-01
      4   0.196246D+02 -0.236088D+02  0.183535D+01 -0.273527D+00  0.216537D+01
      5   0.476050D+00  0.148582D+01 -0.516625D+01  0.518304D+01 -0.348846D+01
      6  -0.611923D+00  0.874555D+00  0.366217D+01 -0.179335D+01  0.380113D+01
                81            82            83            84            85 
      1   0.526807D+00  0.175507D+02  0.751917D+01  0.482032D+01  0.109144D+02
      2  -0.834017D+00 -0.617892D+01 -0.148258D+01 -0.196836D+01 -0.200359D+01
      3   0.307209D+00 -0.113718D+02 -0.603658D+01 -0.285196D+01 -0.891084D+01
      4  -0.297196D+01  0.132792D+02  0.143429D+02  0.452447D+01  0.178698D+02
      5  -0.181132D+00  0.643188D+01  0.394384D+01  0.651831D+01  0.505605D+01
      6  -0.118587D+01  0.225712D+01  0.118978D+01  0.162182D+01  0.209154D+01
                86            87            88            89            90 
      1   0.419724D+01  0.143679D+01  0.752180D+01  0.110833D+01  0.829546D+00
      2   0.598381D+01  0.751105D+00 -0.361010D+01  0.796612D+00 -0.221328D+01
      3  -0.101810D+02 -0.218790D+01 -0.391170D+01 -0.190494D+01  0.138373D+01
      4   0.182982D+02  0.647159D+01  0.636684D+01  0.762687D+01  0.628046D+01
      5   0.579678D+01  0.761414D+01  0.774034D+01  0.612505D+01  0.686182D+01
      6   0.402701D+01  0.449690D+01  0.276199D+01  0.445129D+01  0.394990D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.337217D+00      0.857120D+00      0.285904D+01
   y          0.651403D+00      0.165570D+01      0.552283D+01
   z          0.266668D+00      0.677803D+00      0.226091D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.448764D+02      0.664999D+01      0.739912D+01
   yx        -0.293313D+01     -0.434645D+00     -0.483607D+00
   yy         0.357864D+02      0.530300D+01      0.590038D+01
   zx         0.962235D+00      0.142589D+00      0.158651D+00
   zy        -0.123787D+01     -0.183434D+00     -0.204098D+00
   zz         0.361063D+02      0.535040D+01      0.595312D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.407149D+02      0.603333D+01      0.671298D+01
   aniso      0.930869D+01      0.137941D+01      0.153480D+01
   xx         0.461587D+02      0.684002D+01      0.761055D+01
   yx        -0.233295D+01     -0.345708D+00     -0.384652D+00
   yy         0.381871D+02      0.565875D+01      0.629620D+01
   zx         0.863535D+00      0.127963D+00      0.142378D+00
   zy        -0.656810D+00     -0.973292D-01     -0.108293D+00
   zz         0.377989D+02      0.560122D+01      0.623219D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.95195356          1.18247855          0.08505260
     6         -0.13116355         -0.87721094          0.38118758
     8         -0.74953804          0.08328687         -2.07320661
     1         -1.37075432          3.10238706          0.52204999
     1         -3.96335442          0.81158928          0.25066262
     1         -0.88989594         -2.75655362          0.73067889
     6          2.52045704         -0.44129423          1.28748780
     1          3.12084466          1.48662089          0.87574127
     1          3.82761779         -1.74058113          0.35971124
     1          2.64779815         -0.75360554          3.32444940

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.780483D+00      0.198379D+01      0.661721D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.429366D+02      0.636254D+01      0.707928D+01
   yx        -0.401395D+01     -0.594805D+00     -0.661810D+00
   yy         0.388492D+02      0.575685D+01      0.640536D+01
   zx         0.223041D+01      0.330513D+00      0.367746D+00
   zy        -0.874592D+00     -0.129601D+00     -0.144201D+00
   zz         0.349833D+02      0.518399D+01      0.576797D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.407149D+02      0.603333D+01      0.671298D+01
   aniso      0.930869D+01      0.137941D+01      0.153480D+01
   xx         0.443069D+02      0.656561D+01      0.730523D+01
   yx        -0.364967D+01     -0.540825D+00     -0.601749D+00
   yy         0.400101D+02      0.592888D+01      0.659677D+01
   zx         0.200700D+01      0.297406D+00      0.330909D+00
   zy        -0.817393D+00     -0.121125D+00     -0.134770D+00
   zz         0.378277D+02      0.560549D+01      0.623695D+01

 ----------------------------------------------------------------------
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 MEMORIES ARE LIKE AN ENGLISH GRAMMER LESSON -
 PRESENT TENSE, AND PAST PERFECT.
 Job cpu time:       0 days  0 hours  8 minutes 38.8 seconds.
 Elapsed time:       0 days  0 hours  1 minutes  6.0 seconds.
 File lengths (MBytes):  RWF=     98 Int=      0 D2E=      0 Chk=      4 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:14:52 2021.
